N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide

C12H22N2O3 — CID 43428011

IUPACN-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(O)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(15)8-14-11(16)6-7-13-12(17)10-4-2-3-5-10/h9-10,15H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyCJAADLDKRPFPCX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds6

About N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide

N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 43428011) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
PubChem CID43428011
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(O)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(15)8-14-11(16)6-7-13-12(17)10-4-2-3-5-10/h9-10,15H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyCJAADLDKRPFPCX-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
2-[[3-(cyclopentanecarbonylamino)propanoylamino]methyl]pentanoic acid
CID 65219035
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methoxybutanoic acid
CID 103152614
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111477872

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide (CID 43428011) is N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide is CC(O)CNC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is CJAADLDKRPFPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)8-14-11(16)6-7-13-12(17)10-4-2-3-5-10/h9-10,15H,2-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide?
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 43428011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).