2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C20H30N4O2 — CID 120761771

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H30N4O2/c1-14-7-5-6-10-18(14)22-20(26)23-19(25)13-24-11-16(17(21)12-24)15-8-3-2-4-9-15/h2-4,8-9,14,16-18H,5-7,10-13,21H2,1H3,(H2,22,23,25,26)/t14?,16-,17+,18?/m0/s1
InChIKeyXNBVREZEFDTRKX-FFDQMNFHSA-N
MW358.49 g/mol
LogP1.82
Rot. Bonds4

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 120761771) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID120761771
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H30N4O2/c1-14-7-5-6-10-18(14)22-20(26)23-19(25)13-24-11-16(17(21)12-24)15-8-3-2-4-9-15/h2-4,8-9,14,16-18H,5-7,10-13,21H2,1H3,(H2,22,23,25,26)/t14?,16-,17+,18?/m0/s1
InChIKeyXNBVREZEFDTRKX-FFDQMNFHSA-N
XLogP1.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120761248
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclooctylacetamide;hydrochloride
CID 120761330
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 120761521
N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 27107463
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120761760
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 120759684

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 120761771) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is XNBVREZEFDTRKX-FFDQMNFHSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-7-5-6-10-18(14)22-20(26)23-19(25)13-24-11-16(17(21)12-24)15-8-3-2-4-9-15/h2-4,8-9,14,16-18H,5-7,10-13,21H2,1H3,(H2,22,23,25,26)/t14?,16-,17+,18?/m0/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 120761771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).