3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide

C18H27ClN2O2 — CID 119798178

IUPAC3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1C(CC(C)C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C18H27ClN2O2/c1-11(2)8-16(15-10-13(19)5-7-17(15)23-3)21-18(22)12-4-6-14(20)9-12/h5,7,10-12,14,16H,4,6,8-9,20H2,1-3H3,(H,21,22)
InChIKeyUQSUJBIXSZIXJQ-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide

3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide (PubChem CID 119798178) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
PubChem CID119798178
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1C(CC(C)C)NC(=O)C1CCC(N)C1
InChIInChI=1S/C18H27ClN2O2/c1-11(2)8-16(15-10-13(19)5-7-17(15)23-3)21-18(22)12-4-6-14(20)9-12/h5,7,10-12,14,16H,4,6,8-9,20H2,1-3H3,(H,21,22)
InChIKeyUQSUJBIXSZIXJQ-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide (CID 119798178) is 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide is COc1ccc(Cl)cc1C(CC(C)C)NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The InChIKey is UQSUJBIXSZIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-11(2)8-16(15-10-13(19)5-7-17(15)23-3)21-18(22)12-4-6-14(20)9-12/h5,7,10-12,14,16H,4,6,8-9,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide has a molecular weight of 338.88 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119798178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).