6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide

C14H27N3O2 — CID 11938459

IUPAC6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCCCCNC(N)=O
InChIInChI=1S/C14H27N3O2/c1-11-7-4-5-8-12(11)17-13(18)9-3-2-6-10-16-14(15)19/h11-12H,2-10H2,1H3,(H,17,18)(H3,15,16,19)/t11-,12+/m0/s1
InChIKeyMNMFKTUHBKYJFK-NWDGAFQWSA-N
MW269.39 g/mol
LogP1.91
Rot. Bonds7

About 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide

6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide (PubChem CID 11938459) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide.

Molecular Properties

Compound Name6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
PubChem CID11938459
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CCCCCNC(N)=O
InChIInChI=1S/C14H27N3O2/c1-11-7-4-5-8-12(11)17-13(18)9-3-2-6-10-16-14(15)19/h11-12H,2-10H2,1H3,(H,17,18)(H3,15,16,19)/t11-,12+/m0/s1
InChIKeyMNMFKTUHBKYJFK-NWDGAFQWSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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

3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
N-(2-methylcyclohexyl)butanamide
CID 47005567
(2-methylcyclohexyl)urea
CID 3345444
6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
CID 39969417
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251

Frequently Asked Questions

What is the IUPAC name of 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The IUPAC name of 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide (CID 11938459) is 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide.
What is the SMILES notation for 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The canonical SMILES for 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide is C[C@H]1CCCC[C@H]1NC(=O)CCCCCNC(N)=O.
What is the InChIKey of 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
The InChIKey is MNMFKTUHBKYJFK-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-7-4-5-8-12(11)17-13(18)9-3-2-6-10-16-14(15)19/h11-12H,2-10H2,1H3,(H,17,18)(H3,15,16,19)/t11-,12+/m0/s1.
What are the key properties of 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide?
6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide has a molecular weight of 269.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carbamoylamino)-N-[(1R,2S)-2-methylcyclohexyl]hexanamide is sourced from PubChem (CID 11938459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).