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

C15H21N3O3 — CID 81071747

IUPACN-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOCC(N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-9-13(16)15(20)17-8-10-2-6-12(7-3-10)18-14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyKZYDFOQQINRMNL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.62
Rot. Bonds7

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

N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 81071747) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID81071747
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOCC(N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3/c1-21-9-13(16)15(20)17-8-10-2-6-12(7-3-10)18-14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyKZYDFOQQINRMNL-UHFFFAOYSA-N
XLogP0.62
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 42927190
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide (CID 81071747) is N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide is COCC(N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is KZYDFOQQINRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-9-13(16)15(20)17-8-10-2-6-12(7-3-10)18-14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8-9,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 81071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).