6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide

C14H27N3O2 — CID 39969417

IUPAC6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
SMILESNC(=O)NCCCCCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H27N3O2/c15-14(19)16-10-6-2-5-9-13(18)17-11-12-7-3-1-4-8-12/h12H,1-11H2,(H,17,18)(H3,15,16,19)
InChIKeyRPZBYTZEXHQFSO-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.91
Rot. Bonds8

About 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide

6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide (PubChem CID 39969417) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide.

Molecular Properties

Compound Name6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
PubChem CID39969417
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
SMILESNC(=O)NCCCCCC(=O)NCC1CCCCC1
InChIInChI=1S/C14H27N3O2/c15-14(19)16-10-6-2-5-9-13(18)17-11-12-7-3-1-4-8-12/h12H,1-11H2,(H,17,18)(H3,15,16,19)
InChIKeyRPZBYTZEXHQFSO-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
N-(cyclopentylmethyl)-11-sulfanylundecanamide
CID 59137895
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
5-(cycloheptylmethylamino)pentanamide
CID 106233402
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 11938459
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158

Frequently Asked Questions

What is the IUPAC name of 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide?
The IUPAC name of 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide (CID 39969417) is 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide.
What is the SMILES notation for 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide?
The canonical SMILES for 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide is NC(=O)NCCCCCC(=O)NCC1CCCCC1.
What is the InChIKey of 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide?
The InChIKey is RPZBYTZEXHQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-14(19)16-10-6-2-5-9-13(18)17-11-12-7-3-1-4-8-12/h12H,1-11H2,(H,17,18)(H3,15,16,19).
What are the key properties of 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide?
6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide has a molecular weight of 269.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide is sourced from PubChem (CID 39969417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).