N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide

C19H29N3O4 — CID 644834

IUPACN-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide
SMILESCCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-4-8-18(23)21-14-11-17(26-3)15(12-16(14)25-2)22-19(24)20-13-9-6-5-7-10-13/h11-13H,4-10H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyUFMLUMQUGNJISO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.90
Rot. Bonds7

About N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide

N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide (PubChem CID 644834) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide
PubChem CID644834
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide
SMILESCCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-4-8-18(23)21-14-11-17(26-3)15(12-16(14)25-2)22-19(24)20-13-9-6-5-7-10-13/h11-13H,4-10H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyUFMLUMQUGNJISO-UHFFFAOYSA-N
XLogP3.90
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide?
The IUPAC name of N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide (CID 644834) is N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide is CCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide?
The InChIKey is UFMLUMQUGNJISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-8-18(23)21-14-11-17(26-3)15(12-16(14)25-2)22-19(24)20-13-9-6-5-7-10-13/h11-13H,4-10H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide?
N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoylamino)-2,5-dimethoxyphenyl]butanamide is sourced from PubChem (CID 644834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).