N-butyl-N-methyl-3-(1-phenylethylamino)propanamide

C16H26N2O — CID 109020272

IUPACN-butyl-N-methyl-3-(1-phenylethylamino)propanamide
SMILESCCCCN(C)C(=O)CCNC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-18(3)16(19)11-12-17-14(2)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyATGROUYMRHDCEE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.99
Rot. Bonds8

About N-butyl-N-methyl-3-(1-phenylethylamino)propanamide

N-butyl-N-methyl-3-(1-phenylethylamino)propanamide (PubChem CID 109020272) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(1-phenylethylamino)propanamide
PubChem CID109020272
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butyl-N-methyl-3-(1-phenylethylamino)propanamide
SMILESCCCCN(C)C(=O)CCNC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-18(3)16(19)11-12-17-14(2)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyATGROUYMRHDCEE-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
CID 63868541
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(1-phenylethylamino)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(1-phenylethylamino)propanamide (CID 109020272) is N-butyl-N-methyl-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(1-phenylethylamino)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(1-phenylethylamino)propanamide is CCCCN(C)C(=O)CCNC(C)c1ccccc1.
What is the InChIKey of N-butyl-N-methyl-3-(1-phenylethylamino)propanamide?
The InChIKey is ATGROUYMRHDCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-13-18(3)16(19)11-12-17-14(2)15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(1-phenylethylamino)propanamide?
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 109020272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).