tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate

C24H32N2O3 — CID 57224835

IUPACtert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate
SMILESCCCCC(N)C(=O)N(C(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-5-6-17-20(25)22(27)26(23(28)29-24(2,3)4)21(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,5-6,17,25H2,1-4H3
InChIKeyKUANJWQHKBQZIQ-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.06
Rot. Bonds7

About tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate

tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate (PubChem CID 57224835) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate
PubChem CID57224835
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate
SMILESCCCCC(N)C(=O)N(C(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-5-6-17-20(25)22(27)26(23(28)29-24(2,3)4)21(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,5-6,17,25H2,1-4H3
InChIKeyKUANJWQHKBQZIQ-UHFFFAOYSA-N
XLogP5.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate
CID 70053306
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
benzyl 2-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 143731224
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-amino-N-[(2S)-2-amino-3-phenylpropanoyl]carbamate
CID 135391413
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]-N-(1-tributylstannylethyl)carbamate
CID 177443507
7-O-tert-butyl 1-O-ethyl (2R,6S)-2-amino-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanedioate
CID 11328976
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate?
The IUPAC name of tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate (CID 57224835) is tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate is CCCCC(N)C(=O)N(C(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate?
The InChIKey is KUANJWQHKBQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-6-17-20(25)22(27)26(23(28)29-24(2,3)4)21(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,5-6,17,25H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate?
tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate has a molecular weight of 396.53 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate is sourced from PubChem (CID 57224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).