N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride

C24H49ClN2O2 — CID 67704025

IUPACN-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride
SMILESCCCCCNC(CC1CCCCC1)C(O)CC(C(=O)NCCCC)C(C)C.Cl
InChIInChI=1S/C24H48N2O2.ClH/c1-5-7-12-16-25-22(17-20-13-10-9-11-14-20)23(27)18-21(19(3)4)24(28)26-15-8-6-2;/h19-23,25,27H,5-18H2,1-4H3,(H,26,28);1H
InChIKeyKJJUMSKPOORDAB-UHFFFAOYSA-N
MW433.12 g/mol
LogP5.47
Rot. Bonds15

About N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride

N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride (PubChem CID 67704025) has the molecular formula C24H49ClN2O2 and a molecular weight of 433.12 g/mol. Its IUPAC name is N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride
PubChem CID67704025
Molecular FormulaC24H49ClN2O2
Molecular Weight433.12 g/mol
Exact Mass432.35
IUPAC NameN-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride
SMILESCCCCCNC(CC1CCCCC1)C(O)CC(C(=O)NCCCC)C(C)C.Cl
InChIInChI=1S/C24H48N2O2.ClH/c1-5-7-12-16-25-22(17-20-13-10-9-11-14-20)23(27)18-21(19(3)4)24(28)26-15-8-6-2;/h19-23,25,27H,5-18H2,1-4H3,(H,26,28);1H
InChIKeyKJJUMSKPOORDAB-UHFFFAOYSA-N
XLogP5.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.12
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 58964067
N-butyl-6-cyclohexyl-4-hydroxy-5-[[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]-2-propan-2-ylhexanamide
CID 91300232
6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride
CID 67704016
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403
N-butyl-2-cyclopentylpropanamide
CID 173178636
(4S)-5-[[(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfonylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 67559847
methyl N-[2-[(3-chlorophenyl)-[1-[[(2S,3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-(pentylcarbamoyl)heptan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 23729048
N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide
CID 14787985
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhexanoic acid
CID 57129165

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride?
The IUPAC name of N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride (CID 67704025) is N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride.
What is the SMILES notation for N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride?
The canonical SMILES for N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride is CCCCCNC(CC1CCCCC1)C(O)CC(C(=O)NCCCC)C(C)C.Cl.
What is the InChIKey of N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride?
The InChIKey is KJJUMSKPOORDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2.ClH/c1-5-7-12-16-25-22(17-20-13-10-9-11-14-20)23(27)18-21(19(3)4)24(28)26-15-8-6-2;/h19-23,25,27H,5-18H2,1-4H3,(H,26,28);1H.
What are the key properties of N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride?
N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride has a molecular weight of 433.12 g/mol, XLogP of 5.47, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-cyclohexyl-4-hydroxy-5-(pentylamino)-2-propan-2-ylhexanamide;hydrochloride is sourced from PubChem (CID 67704025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).