N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide

C16H26N2O — CID 54925398

IUPACN-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(2)17-12-11-16(19)18(3)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyLVGOCHPPDFHAEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds8

About N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide

N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54925398) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
PubChem CID54925398
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(2)17-12-11-16(19)18(3)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyLVGOCHPPDFHAEZ-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
(2S)-2-benzyl-N,3-dimethyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 157342075
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide (CID 54925398) is N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is LVGOCHPPDFHAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)17-12-11-16(19)18(3)13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide?
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54925398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).