2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide

C14H19N3O3 — CID 106111162

IUPAC2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
SMILESCOC(CN)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-5-3-2-4-10(11)13(18)16-9-6-7-9/h2-5,9,12H,6-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyAIXMWDUDSFTERB-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.49
Rot. Bonds6

About 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide

2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide (PubChem CID 106111162) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
PubChem CID106111162
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
SMILESCOC(CN)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-5-3-2-4-10(11)13(18)16-9-6-7-9/h2-5,9,12H,6-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyAIXMWDUDSFTERB-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
N-cyclohexyl-2-[2-(4-methoxyphenoxy)butanoylamino]benzamide
CID 21368361
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 132670970

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide (CID 106111162) is 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide is COC(CN)C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide?
The InChIKey is AIXMWDUDSFTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12(8-15)14(19)17-11-5-3-2-4-10(11)13(18)16-9-6-7-9/h2-5,9,12H,6-8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide?
2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 106111162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).