tert-butyl N-(3-anilinobutanoyl)carbamate

C15H22N2O3 — CID 11608842

IUPACtert-butyl N-(3-anilinobutanoyl)carbamate
SMILESCC(CC(=O)NC(=O)OC(C)(C)C)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(16-12-8-6-5-7-9-12)10-13(18)17-14(19)20-15(2,3)4/h5-9,11,16H,10H2,1-4H3,(H,17,18,19)
InChIKeyLWDSWJPRRVJWSV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.93
Rot. Bonds4

About tert-butyl N-(3-anilinobutanoyl)carbamate

tert-butyl N-(3-anilinobutanoyl)carbamate (PubChem CID 11608842) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(3-anilinobutanoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-anilinobutanoyl)carbamate
PubChem CID11608842
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(3-anilinobutanoyl)carbamate
SMILESCC(CC(=O)NC(=O)OC(C)(C)C)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(16-12-8-6-5-7-9-12)10-13(18)17-14(19)20-15(2,3)4/h5-9,11,16H,10H2,1-4H3,(H,17,18,19)
InChIKeyLWDSWJPRRVJWSV-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-anilinobutanoate
CID 11333008
5-anilinohexan-3-one
CID 10397682
methyl N-[(3S)-3-(3,5-dimethoxyanilino)butanoyl]carbamate
CID 102204758
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(2R)-4-(2-methylanilino)-4-oxobutan-2-yl]carbamate
CID 95781912
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
CID 11543104
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
tert-butyl N-(3-tritylsulfanylpropanoyl)carbamate
CID 67752238
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-anilinobutanoyl)carbamate?
The IUPAC name of tert-butyl N-(3-anilinobutanoyl)carbamate (CID 11608842) is tert-butyl N-(3-anilinobutanoyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-anilinobutanoyl)carbamate?
The canonical SMILES for tert-butyl N-(3-anilinobutanoyl)carbamate is CC(CC(=O)NC(=O)OC(C)(C)C)Nc1ccccc1.
What is the InChIKey of tert-butyl N-(3-anilinobutanoyl)carbamate?
The InChIKey is LWDSWJPRRVJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(16-12-8-6-5-7-9-12)10-13(18)17-14(19)20-15(2,3)4/h5-9,11,16H,10H2,1-4H3,(H,17,18,19).
What are the key properties of tert-butyl N-(3-anilinobutanoyl)carbamate?
tert-butyl N-(3-anilinobutanoyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-anilinobutanoyl)carbamate is sourced from PubChem (CID 11608842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).