3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide

C19H30N2O — CID 119692874

IUPAC3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCC(N)C2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-5-14-6-8-15(9-7-14)18(13(2)3)21-19(22)16-10-11-17(20)12-16/h6-9,13,16-18H,4-5,10-12,20H2,1-3H3,(H,21,22)
InChIKeyRXWDRFMMLUFGHG-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.58
Rot. Bonds6

About 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide

3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide (PubChem CID 119692874) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
PubChem CID119692874
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCC(N)C2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-5-14-6-8-15(9-7-14)18(13(2)3)21-19(22)16-10-11-17(20)12-16/h6-9,13,16-18H,4-5,10-12,20H2,1-3H3,(H,21,22)
InChIKeyRXWDRFMMLUFGHG-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide (CID 119692874) is 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide is CCCc1ccc(C(NC(=O)C2CCC(N)C2)C(C)C)cc1.
What is the InChIKey of 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide?
The InChIKey is RXWDRFMMLUFGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-14-6-8-15(9-7-14)18(13(2)3)21-19(22)16-10-11-17(20)12-16/h6-9,13,16-18H,4-5,10-12,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide?
3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119692874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).