N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide

C15H28N2O3 — CID 103771616

IUPACN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(C)CC(O)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)9-13(18)10-17-14(19)7-8-16-15(20)12-5-3-4-6-12/h11-13,18H,3-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyGCEWUNUJCLIPTA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.21
Rot. Bonds8

About N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 103771616) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID103771616
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(C)CC(O)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)9-13(18)10-17-14(19)7-8-16-15(20)12-5-3-4-6-12/h11-13,18H,3-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyGCEWUNUJCLIPTA-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
CID 65219035
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
CID 56801383

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide (CID 103771616) is N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide is CC(C)CC(O)CNC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is GCEWUNUJCLIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)9-13(18)10-17-14(19)7-8-16-15(20)12-5-3-4-6-12/h11-13,18H,3-10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 103771616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).