1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate

C38H44N4O4 — CID 11628735

IUPAC1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCCn1c2ccccc2c2cc(CN3CCC(NC(=O)OC(C)c4c(CNC(=O)OC(C)(C)C)ccc5ccccc45)C3)ccc21
InChIInChI=1S/C38H44N4O4/c1-6-42-33-14-10-9-13-31(33)32-21-26(15-18-34(32)42)23-41-20-19-29(24-41)40-37(44)45-25(2)35-28(22-39-36(43)46-38(3,4)5)17-16-27-11-7-8-12-30(27)35/h7-18,21,25,29H,6,19-20,22-24H2,1-5H3,(H,39,43)(H,40,44)
InChIKeyPDDOACCOAPYYOO-UHFFFAOYSA-N
MW620.79 g/mol
LogP8.05
Rot. Bonds8

About 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate

1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate (PubChem CID 11628735) has the molecular formula C38H44N4O4 and a molecular weight of 620.79 g/mol. Its IUPAC name is 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
PubChem CID11628735
Molecular FormulaC38H44N4O4
Molecular Weight620.79 g/mol
Exact Mass620.34
IUPAC Name1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
SMILESCCn1c2ccccc2c2cc(CN3CCC(NC(=O)OC(C)c4c(CNC(=O)OC(C)(C)C)ccc5ccccc45)C3)ccc21
InChIInChI=1S/C38H44N4O4/c1-6-42-33-14-10-9-13-31(33)32-21-26(15-18-34(32)42)23-41-20-19-29(24-41)40-37(44)45-25(2)35-28(22-39-36(43)46-38(3,4)5)17-16-27-11-7-8-12-30(27)35/h7-18,21,25,29H,6,19-20,22-24H2,1-5H3,(H,39,43)(H,40,44)
InChIKeyPDDOACCOAPYYOO-UHFFFAOYSA-N
XLogP8.05
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.79
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamoyl]phenyl]methyl benzoate
CID 6737417
tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate
CID 67996554
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
(3-methoxy-4-nitrophenyl)methyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 6733849
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75993992
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]carbamate
CID 175191930

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate (CID 11628735) is 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate is CCn1c2ccccc2c2cc(CN3CCC(NC(=O)OC(C)c4c(CNC(=O)OC(C)(C)C)ccc5ccccc45)C3)ccc21.
What is the InChIKey of 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate?
The InChIKey is PDDOACCOAPYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O4/c1-6-42-33-14-10-9-13-31(33)32-21-26(15-18-34(32)42)23-41-20-19-29(24-41)40-37(44)45-25(2)35-28(22-39-36(43)46-38(3,4)5)17-16-27-11-7-8-12-30(27)35/h7-18,21,25,29H,6,19-20,22-24H2,1-5H3,(H,39,43)(H,40,44).
What are the key properties of 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate?
1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate has a molecular weight of 620.79 g/mol, XLogP of 8.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 11628735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).