4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide

C17H26N2O2 — CID 120561869

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(N(C(=O)CCC(C)N)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(18)4-11-17(20)19(13(2)14-5-6-14)15-7-9-16(21-3)10-8-15/h7-10,12-14H,4-6,11,18H2,1-3H3
InChIKeyDWLJMVNACLWILA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds7

About 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide

4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide (PubChem CID 120561869) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
PubChem CID120561869
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(N(C(=O)CCC(C)N)C(C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(18)4-11-17(20)19(13(2)14-5-6-14)15-7-9-16(21-3)10-8-15/h7-10,12-14H,4-6,11,18H2,1-3H3
InChIKeyDWLJMVNACLWILA-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide (CID 120561869) is 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide is COc1ccc(N(C(=O)CCC(C)N)C(C)C2CC2)cc1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide?
The InChIKey is DWLJMVNACLWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(18)4-11-17(20)19(13(2)14-5-6-14)15-7-9-16(21-3)10-8-15/h7-10,12-14H,4-6,11,18H2,1-3H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide?
4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 120561869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).