N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide

C17H25N3O2 — CID 95339721

IUPACN-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
SMILESC[C@@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13-6-5-9-15(13)20-17(22)19-11-10-18-16(21)12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyRTJHZKGCUUALFV-UKRRQHHQSA-N
MW303.41 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide

N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide (PubChem CID 95339721) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
PubChem CID95339721
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
SMILESC[C@@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13-6-5-9-15(13)20-17(22)19-11-10-18-16(21)12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1
InChIKeyRTJHZKGCUUALFV-UKRRQHHQSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
1-(2-methylcyclopentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 86962509
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
N-[[4-methyl-5-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126177063
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide (CID 95339721) is N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide is C[C@@H]1CCC[C@H]1NC(=O)NCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide?
The InChIKey is RTJHZKGCUUALFV-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-6-5-9-15(13)20-17(22)19-11-10-18-16(21)12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,21)(H2,19,20,22)/t13-,15-/m1/s1.
What are the key properties of N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide?
N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 95339721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).