N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide

C13H17N3O3 — CID 47127639

IUPACN-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC1CC1
InChIInChI=1S/C13H17N3O3/c1-8(17)14-10-5-6-12(19-2)11(7-10)16-13(18)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyRMJPAIUVRFFUCF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.94
Rot. Bonds4

About N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide

N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide (PubChem CID 47127639) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
PubChem CID47127639
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC1CC1
InChIInChI=1S/C13H17N3O3/c1-8(17)14-10-5-6-12(19-2)11(7-10)16-13(18)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyRMJPAIUVRFFUCF-UHFFFAOYSA-N
XLogP1.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
CID 62700814
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide (CID 47127639) is N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide?
The InChIKey is RMJPAIUVRFFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(17)14-10-5-6-12(19-2)11(7-10)16-13(18)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide?
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 47127639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).