N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide

C20H32N2O — CID 3031102

IUPACN-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(CCC(=O)NCNC2CCCCC2)cc1
InChIInChI=1S/C20H32N2O/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(23)22-15-21-19-6-4-3-5-7-19/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,22,23)
InChIKeyRFXHOLMKDWGKJH-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.81
Rot. Bonds8

About N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide

N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 3031102) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID3031102
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(CCC(=O)NCNC2CCCCC2)cc1
InChIInChI=1S/C20H32N2O/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(23)22-15-21-19-6-4-3-5-7-19/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,22,23)
InChIKeyRFXHOLMKDWGKJH-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide (CID 3031102) is N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(CCC(=O)NCNC2CCCCC2)cc1.
What is the InChIKey of N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is RFXHOLMKDWGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(23)22-15-21-19-6-4-3-5-7-19/h8-11,16,19,21H,3-7,12-15H2,1-2H3,(H,22,23).
What are the key properties of N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide?
N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 316.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(cyclohexylamino)methyl]-3-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 3031102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).