N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide

C18H27N3O2 — CID 124618574

IUPACN-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(21-17(23)20-13-12-19-15(2)22)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1
InChIKeyRTMFCCIIHBOCOM-AWEZNQCLSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds6

About N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide

N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide (PubChem CID 124618574) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide
PubChem CID124618574
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(21-17(23)20-13-12-19-15(2)22)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1
InChIKeyRTMFCCIIHBOCOM-AWEZNQCLSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-3-[(1R)-1-(1-phenylcyclopentyl)ethyl]urea
CID 100703457
N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97087836
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010655
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide (CID 124618574) is N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide?
The InChIKey is RTMFCCIIHBOCOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(21-17(23)20-13-12-19-15(2)22)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,22)(H2,20,21,23)/t14-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide?
N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 124618574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).