N,N-dibutyl-2-phenoxybutanamide

C18H29NO2 — CID 3492483

IUPACN,N-dibutyl-2-phenoxybutanamide
SMILESCCCCN(CCCC)C(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-7-14-19(15-8-5-2)18(20)17(6-3)21-16-12-10-9-11-13-16/h9-13,17H,4-8,14-15H2,1-3H3
InChIKeyODGZRIDZXNVTDY-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.27
Rot. Bonds10

About N,N-dibutyl-2-phenoxybutanamide

N,N-dibutyl-2-phenoxybutanamide (PubChem CID 3492483) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N,N-dibutyl-2-phenoxybutanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-phenoxybutanamide
PubChem CID3492483
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN,N-dibutyl-2-phenoxybutanamide
SMILESCCCCN(CCCC)C(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-7-14-19(15-8-5-2)18(20)17(6-3)21-16-12-10-9-11-13-16/h9-13,17H,4-8,14-15H2,1-3H3
InChIKeyODGZRIDZXNVTDY-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
CID 107433913
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
CID 62332724
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-phenoxyhexadecanethioic S-acid
CID 142789333
N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide
CID 71020819
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-phenoxybutanamide?
The IUPAC name of N,N-dibutyl-2-phenoxybutanamide (CID 3492483) is N,N-dibutyl-2-phenoxybutanamide.
What is the SMILES notation for N,N-dibutyl-2-phenoxybutanamide?
The canonical SMILES for N,N-dibutyl-2-phenoxybutanamide is CCCCN(CCCC)C(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N,N-dibutyl-2-phenoxybutanamide?
The InChIKey is ODGZRIDZXNVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-14-19(15-8-5-2)18(20)17(6-3)21-16-12-10-9-11-13-16/h9-13,17H,4-8,14-15H2,1-3H3.
What are the key properties of N,N-dibutyl-2-phenoxybutanamide?
N,N-dibutyl-2-phenoxybutanamide has a molecular weight of 291.43 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-phenoxybutanamide is sourced from PubChem (CID 3492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).