N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide

C21H38N2O2 — CID 40601025

IUPACN-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
SMILESCCCC[C@@](CC)(CCCNC(=O)C1CCC1)CNC(=O)C1CCC1
InChIInChI=1S/C21H38N2O2/c1-3-5-13-21(4-2,16-23-20(25)18-11-7-12-18)14-8-15-22-19(24)17-9-6-10-17/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25)/t21-/m0/s1
InChIKeyITCVHAUQQJBPOD-NRFANRHFSA-N
MW350.55 g/mol
LogP4.19
Rot. Bonds12

About N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide

N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide (PubChem CID 40601025) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
PubChem CID40601025
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC NameN-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
SMILESCCCC[C@@](CC)(CCCNC(=O)C1CCC1)CNC(=O)C1CCC1
InChIInChI=1S/C21H38N2O2/c1-3-5-13-21(4-2,16-23-20(25)18-11-7-12-18)14-8-15-22-19(24)17-9-6-10-17/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25)/t21-/m0/s1
InChIKeyITCVHAUQQJBPOD-NRFANRHFSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide
CID 4318608
N-[4-ethyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]octyl]-2,2,2-trifluoroacetamide
CID 17285414
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-propylcyclooctanecarboxamide
CID 65022755
N-[2-(chloromethyl)-2-ethylbutyl]-4-methylcyclohexane-1-carboxamide
CID 114164566
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide (CID 40601025) is N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide is CCCC[C@@](CC)(CCCNC(=O)C1CCC1)CNC(=O)C1CCC1.
What is the InChIKey of N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide?
The InChIKey is ITCVHAUQQJBPOD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-3-5-13-21(4-2,16-23-20(25)18-11-7-12-18)14-8-15-22-19(24)17-9-6-10-17/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide?
N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide has a molecular weight of 350.55 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[(cyclobutanecarbonylamino)methyl]-4-ethyloctyl]cyclobutanecarboxamide is sourced from PubChem (CID 40601025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).