N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide

C19H29N3O3 — CID 23447177

IUPACN-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide
SMILESCCCCNC1CC(NC(=O)c2ccc(OC)cc2)CC(C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-3-4-9-21-15-10-14(18(20)23)11-16(12-15)22-19(24)13-5-7-17(25-2)8-6-13/h5-8,14-16,21H,3-4,9-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyYJKKFHCBNBOWJB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.84
Rot. Bonds8

About N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide

N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide (PubChem CID 23447177) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide
PubChem CID23447177
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide
SMILESCCCCNC1CC(NC(=O)c2ccc(OC)cc2)CC(C(N)=O)C1
InChIInChI=1S/C19H29N3O3/c1-3-4-9-21-15-10-14(18(20)23)11-16(12-15)22-19(24)13-5-7-17(25-2)8-6-13/h5-8,14-16,21H,3-4,9-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyYJKKFHCBNBOWJB-UHFFFAOYSA-N
XLogP1.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-methoxy-N-pentylbenzamide
CID 3113360
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide (CID 23447177) is N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide is CCCCNC1CC(NC(=O)c2ccc(OC)cc2)CC(C(N)=O)C1.
What is the InChIKey of N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide?
The InChIKey is YJKKFHCBNBOWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-4-9-21-15-10-14(18(20)23)11-16(12-15)22-19(24)13-5-7-17(25-2)8-6-13/h5-8,14-16,21H,3-4,9-12H2,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide?
N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide has a molecular weight of 347.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-5-carbamoylcyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 23447177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).