2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate

C20H25N3O5 — CID 143994869

IUPAC2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
SMILESCNC(=O)CNC(=O)c1ccc(-c2ccc(CNC(=O)OCC(C)C)cc2)o1
InChIInChI=1S/C20H25N3O5/c1-13(2)12-27-20(26)23-10-14-4-6-15(7-5-14)16-8-9-17(28-16)19(25)22-11-18(24)21-3/h4-9,13H,10-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXVRRIQYHITXKKR-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.30
Rot. Bonds8

About 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate

2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate (PubChem CID 143994869) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
PubChem CID143994869
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
SMILESCNC(=O)CNC(=O)c1ccc(-c2ccc(CNC(=O)OCC(C)C)cc2)o1
InChIInChI=1S/C20H25N3O5/c1-13(2)12-27-20(26)23-10-14-4-6-15(7-5-14)16-8-9-17(28-16)19(25)22-11-18(24)21-3/h4-9,13H,10-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXVRRIQYHITXKKR-UHFFFAOYSA-N
XLogP2.30
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994822
4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 55079122
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 143994860
2-methylpropyl N-[(4-cyanophenyl)methyl]carbamate
CID 60755302
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
N-[2-(methylamino)-2-oxoethyl]-5-pyridin-2-ylfuran-2-carboxamide
CID 143994924
5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
CID 143994876
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate (CID 143994869) is 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate is CNC(=O)CNC(=O)c1ccc(-c2ccc(CNC(=O)OCC(C)C)cc2)o1.
What is the InChIKey of 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?
The InChIKey is XVRRIQYHITXKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13(2)12-27-20(26)23-10-14-4-6-15(7-5-14)16-8-9-17(28-16)19(25)22-11-18(24)21-3/h4-9,13H,10-12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate?
2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate has a molecular weight of 387.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 143994869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).