2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide

C16H26N2O — CID 78821968

IUPAC2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
SMILESCCCCN(C)C(C)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-7-13-17(4)14(3)16(19)18(6-2)15-11-9-8-10-12-15/h8-12,14H,5-7,13H2,1-4H3
InChIKeyPLHHJWQGTMHFEE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.16
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide

2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide (PubChem CID 78821968) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
PubChem CID78821968
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
SMILESCCCCN(C)C(C)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-7-13-17(4)14(3)16(19)18(6-2)15-11-9-8-10-12-15/h8-12,14H,5-7,13H2,1-4H3
InChIKeyPLHHJWQGTMHFEE-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide (CID 78821968) is 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide is CCCCN(C)C(C)C(=O)N(CC)c1ccccc1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide?
The InChIKey is PLHHJWQGTMHFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-7-13-17(4)14(3)16(19)18(6-2)15-11-9-8-10-12-15/h8-12,14H,5-7,13H2,1-4H3.
What are the key properties of 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide?
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 78821968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).