N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide

C18H28N2O — CID 62702824

IUPACN-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28N2O/c1-4-18(21)20-17-7-5-6-16(12-17)19-15-10-8-14(9-11-15)13(2)3/h5-7,12-15,19H,4,8-11H2,1-3H3,(H,20,21)
InChIKeyKAMQXHXYCHCDJJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.66
Rot. Bonds5

About N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide

N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide (PubChem CID 62702824) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
PubChem CID62702824
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28N2O/c1-4-18(21)20-17-7-5-6-16(12-17)19-15-10-8-14(9-11-15)13(2)3/h5-7,12-15,19H,4,8-11H2,1-3H3,(H,20,21)
InChIKeyKAMQXHXYCHCDJJ-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide (CID 62702824) is N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide?
The InChIKey is KAMQXHXYCHCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-18(21)20-17-7-5-6-16(12-17)19-15-10-8-14(9-11-15)13(2)3/h5-7,12-15,19H,4,8-11H2,1-3H3,(H,20,21).
What are the key properties of N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide?
N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide is sourced from PubChem (CID 62702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).