N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide

C19H26N2O3 — CID 97082762

IUPACN-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)N[C@H]1CCC[C@H]1Oc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(10-5-13-20-19(23)14-11-12-14)21-16-8-4-9-17(16)24-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyCCQMJDSJMCYETN-DLBZAZTESA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds8

About N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide

N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide (PubChem CID 97082762) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
PubChem CID97082762
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)N[C@H]1CCC[C@H]1Oc1ccccc1
InChIInChI=1S/C19H26N2O3/c22-18(10-5-13-20-19(23)14-11-12-14)21-16-8-4-9-17(16)24-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyCCQMJDSJMCYETN-DLBZAZTESA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-[(2-phenoxycyclopentyl)amino]butyl]cyclopropanecarboxamide
CID 71931515
N-[4-oxo-4-[[(1S,2S)-2-phenoxycyclohexyl]amino]butyl]cyclopropanecarboxamide
CID 95625915
N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 96531775
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
3-(4-nitropyrazol-1-yl)-N-[(1R,2R)-2-phenoxycyclopentyl]propanamide
CID 97082768
3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
CID 71876400
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
CID 97220209
N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
4-[[(1R,2R,3R)-2-hydroxy-3-(2-phenoxyphenoxy)cyclohexyl]amino]-4-oxobutanoic acid
CID 110147492
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide (CID 97082762) is N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)N[C@H]1CCC[C@H]1Oc1ccccc1.
What is the InChIKey of N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide?
The InChIKey is CCQMJDSJMCYETN-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(10-5-13-20-19(23)14-11-12-14)21-16-8-4-9-17(16)24-15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1.
What are the key properties of N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide?
N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide is sourced from PubChem (CID 97082762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).