N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide

C16H23N3O4 — CID 56803361

IUPACN-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
SMILESCOc1ccc(OC(C)C)c(NC(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O4/c1-10(2)23-14-7-6-12(22-3)8-13(14)19-16(21)17-9-15(20)18-11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H2,17,19,21)
InChIKeyLTWNUFNKIKQMHN-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.88
Rot. Bonds7

About N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide

N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide (PubChem CID 56803361) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
PubChem CID56803361
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
SMILESCOc1ccc(OC(C)C)c(NC(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O4/c1-10(2)23-14-7-6-12(22-3)8-13(14)19-16(21)17-9-15(20)18-11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H2,17,19,21)
InChIKeyLTWNUFNKIKQMHN-UHFFFAOYSA-N
XLogP1.88
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86897116
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95614995
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
CID 120591665
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide (CID 56803361) is N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide is COc1ccc(OC(C)C)c(NC(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide?
The InChIKey is LTWNUFNKIKQMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(2)23-14-7-6-12(22-3)8-13(14)19-16(21)17-9-15(20)18-11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,20)(H2,17,19,21).
What are the key properties of N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide?
N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 56803361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).