N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide

C17H32N2O2 — CID 65120275

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC2(O)CCC(C)(C)CC2)CCNC1
InChIInChI=1S/C17H32N2O2/c1-4-5-16(10-11-18-12-16)14(20)19-13-17(21)8-6-15(2,3)7-9-17/h18,21H,4-13H2,1-3H3,(H,19,20)
InChIKeyLLFLVAXVQIVXHC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.21
Rot. Bonds5

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 65120275) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID65120275
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC2(O)CCC(C)(C)CC2)CCNC1
InChIInChI=1S/C17H32N2O2/c1-4-5-16(10-11-18-12-16)14(20)19-13-17(21)8-6-15(2,3)7-9-17/h18,21H,4-13H2,1-3H3,(H,19,20)
InChIKeyLLFLVAXVQIVXHC-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 65120275) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCC2(O)CCC(C)(C)CC2)CCNC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is LLFLVAXVQIVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-5-16(10-11-18-12-16)14(20)19-13-17(21)8-6-15(2,3)7-9-17/h18,21H,4-13H2,1-3H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65120275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).