N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide

C18H32N4O2 — CID 43834019

IUPACN-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCCC(CNC(=O)N2CCCC2)C1)N1CCCC1
InChIInChI=1S/C18H32N4O2/c23-17(21-8-1-2-9-21)19-13-15-6-5-7-16(12-15)14-20-18(24)22-10-3-4-11-22/h15-16H,1-14H2,(H,19,23)(H,20,24)
InChIKeyCHEMOFBOSHKYEQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.40
Rot. Bonds4

About N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide

N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 43834019) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
PubChem CID43834019
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCCC(CNC(=O)N2CCCC2)C1)N1CCCC1
InChIInChI=1S/C18H32N4O2/c23-17(21-8-1-2-9-21)19-13-15-6-5-7-16(12-15)14-20-18(24)22-10-3-4-11-22/h15-16H,1-14H2,(H,19,23)(H,20,24)
InChIKeyCHEMOFBOSHKYEQ-UHFFFAOYSA-N
XLogP2.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide (CID 43834019) is N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide is O=C(NCC1CCCC(CNC(=O)N2CCCC2)C1)N1CCCC1.
What is the InChIKey of N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is CHEMOFBOSHKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c23-17(21-8-1-2-9-21)19-13-15-6-5-7-16(12-15)14-20-18(24)22-10-3-4-11-22/h15-16H,1-14H2,(H,19,23)(H,20,24).
What are the key properties of N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide?
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 43834019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).