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

C15H21N3O2 — CID 79201789

IUPACN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCNCC(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(9-16-2)14(19)17-12-4-3-5-13(8-12)18-15(20)11-6-7-11/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKVRZZNPTQOFQKN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds6

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

N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 79201789) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID79201789
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCNCC(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-10(9-16-2)14(19)17-12-4-3-5-13(8-12)18-15(20)11-6-7-11/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyKVRZZNPTQOFQKN-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 68644459
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide (CID 79201789) is N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide is CNCC(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is KVRZZNPTQOFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(9-16-2)14(19)17-12-4-3-5-13(8-12)18-15(20)11-6-7-11/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 79201789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).