N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide

C15H21N3O3 — CID 51090624

IUPACN-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide
SMILESNC(=O)Nc1cccc(CNC(=O)COC2CCCC2)c1
InChIInChI=1S/C15H21N3O3/c16-15(20)18-12-5-3-4-11(8-12)9-17-14(19)10-21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H3,16,18,20)
InChIKeyCSDVPLVZEUORFI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.75
Rot. Bonds6

About N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide

N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide (PubChem CID 51090624) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide.

Molecular Properties

Compound NameN-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide
PubChem CID51090624
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide
SMILESNC(=O)Nc1cccc(CNC(=O)COC2CCCC2)c1
InChIInChI=1S/C15H21N3O3/c16-15(20)18-12-5-3-4-11(8-12)9-17-14(19)10-21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H3,16,18,20)
InChIKeyCSDVPLVZEUORFI-UHFFFAOYSA-N
XLogP1.75
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
CID 150640545
N-[[3-(carbamoylamino)phenyl]methyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51090626
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
1-[3-[[(2-cyclopentyloxyacetyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629445
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
2-cyclohexyloxy-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 87006772
cyclopentyl 3-(carbamoylamino)benzoate
CID 47128803
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315

Frequently Asked Questions

What is the IUPAC name of N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide?
The IUPAC name of N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide (CID 51090624) is N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide.
What is the SMILES notation for N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide?
The canonical SMILES for N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide is NC(=O)Nc1cccc(CNC(=O)COC2CCCC2)c1.
What is the InChIKey of N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide?
The InChIKey is CSDVPLVZEUORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(20)18-12-5-3-4-11(8-12)9-17-14(19)10-21-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H3,16,18,20).
What are the key properties of N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide?
N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide is sourced from PubChem (CID 51090624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).