N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide

C16H23N3O2 — CID 76896604

IUPACN-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-12-8-6-11(7-9-12)18-14(20)10-4-5-10/h6-10,13H,4-5,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFLRWUWPESDNUHK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds4

About N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 76896604) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID76896604
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-12-8-6-11(7-9-12)18-14(20)10-4-5-10/h6-10,13H,4-5,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFLRWUWPESDNUHK-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide (CID 76896604) is N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide is CC(C)(C)C(N)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is FLRWUWPESDNUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-12-8-6-11(7-9-12)18-14(20)10-4-5-10/h6-10,13H,4-5,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 76896604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).