tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate

C17H33N3O3 — CID 126816079

IUPACtert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNCC(=O)NCC1CC1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O3/c1-12(2)14(10-20-16(22)23-17(3,4)5)9-18-11-15(21)19-8-13-6-7-13/h12-14,18H,6-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyZIECSWANMKEOKZ-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.90
Rot. Bonds9

About tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate (PubChem CID 126816079) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
PubChem CID126816079
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
SMILESCC(C)C(CNCC(=O)NCC1CC1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33N3O3/c1-12(2)14(10-20-16(22)23-17(3,4)5)9-18-11-15(21)19-8-13-6-7-13/h12-14,18H,6-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyZIECSWANMKEOKZ-UHFFFAOYSA-N
XLogP1.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562
tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442662
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
tert-butyl N-[3-methyl-2-[(3-methylsulfanylpropylamino)methyl]butyl]carbamate
CID 107442261
N-(cyclopropylmethyl)-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65035969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate (CID 126816079) is tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate is CC(C)C(CNCC(=O)NCC1CC1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The InChIKey is ZIECSWANMKEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-12(2)14(10-20-16(22)23-17(3,4)5)9-18-11-15(21)19-8-13-6-7-13/h12-14,18H,6-11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 126816079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).