N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide

C15H21N3O2 — CID 62848369

IUPACN-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCNC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,16-3)14(20)18-12-6-4-5-11(9-12)17-13(19)10-7-8-10/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWRTOMGKSUHMQKP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds5

About N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 62848369) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID62848369
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCNC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-15(2,16-3)14(20)18-12-6-4-5-11(9-12)17-13(19)10-7-8-10/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWRTOMGKSUHMQKP-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide (CID 62848369) is N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide is CNC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is WRTOMGKSUHMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,16-3)14(20)18-12-6-4-5-11(9-12)17-13(19)10-7-8-10/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 62848369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).