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

C14H19N3O3 — CID 106112552

IUPACN-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCOC(CN)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-6-4-10(5-7-11)16-13(18)9-2-3-9/h4-7,9,12H,2-3,8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNGFAFUWJLTUZOH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.95
Rot. Bonds6

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

N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 106112552) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID106112552
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCOC(CN)C(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-6-4-10(5-7-11)16-13(18)9-2-3-9/h4-7,9,12H,2-3,8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNGFAFUWJLTUZOH-UHFFFAOYSA-N
XLogP0.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide (CID 106112552) is N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide is COC(CN)C(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is NGFAFUWJLTUZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-6-4-10(5-7-11)16-13(18)9-2-3-9/h4-7,9,12H,2-3,8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 106112552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).