2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide

C16H26N2O — CID 119316989

IUPAC2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)CN
InChIInChI=1S/C16H26N2O/c1-3-8-15(12-14-9-6-5-7-10-14)18(11-4-2)16(19)13-17/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyKUXGRTIUBRGIEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds8

About 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide

2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide (PubChem CID 119316989) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
PubChem CID119316989
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
SMILESCCCC(Cc1ccccc1)N(CCC)C(=O)CN
InChIInChI=1S/C16H26N2O/c1-3-8-15(12-14-9-6-5-7-10-14)18(11-4-2)16(19)13-17/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyKUXGRTIUBRGIEC-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-amino-3-phenylpropanoate;dihydrochloride
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ethyl 2-benzyl-3-hydroxyhexanoate
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ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
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ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide?
The IUPAC name of 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide (CID 119316989) is 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide?
The canonical SMILES for 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide is CCCC(Cc1ccccc1)N(CCC)C(=O)CN.
What is the InChIKey of 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide?
The InChIKey is KUXGRTIUBRGIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-8-15(12-14-9-6-5-7-10-14)18(11-4-2)16(19)13-17/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3.
What are the key properties of 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide?
2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide has a molecular weight of 262.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide is sourced from PubChem (CID 119316989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).