N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide

C16H30N2O2 — CID 106975355

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC2(O)CCCCCC2)CCCN1
InChIInChI=1S/C16H30N2O2/c1-2-8-16(11-7-12-18-16)14(19)17-13-15(20)9-5-3-4-6-10-15/h18,20H,2-13H2,1H3,(H,17,19)
InChIKeyMOAPELCZBOPDQV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.11
Rot. Bonds5

About N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975355) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106975355
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC2(O)CCCCCC2)CCCN1
InChIInChI=1S/C16H30N2O2/c1-2-8-16(11-7-12-18-16)14(19)17-13-15(20)9-5-3-4-6-10-15/h18,20H,2-13H2,1H3,(H,17,19)
InChIKeyMOAPELCZBOPDQV-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975500
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
N-(2-oxo-2-piperidin-1-ylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106975739
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
CID 106975117
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
CID 106975717
N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975806
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide (CID 106975355) is N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCC2(O)CCCCCC2)CCCN1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is MOAPELCZBOPDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-8-16(11-7-12-18-16)14(19)17-13-15(20)9-5-3-4-6-10-15/h18,20H,2-13H2,1H3,(H,17,19).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).