N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide

C18H29NO2 — CID 102914465

IUPACN-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-6-17(21-15-10-8-7-9-11-15)18(20)19-12-16(13(2)3)14(4)5/h7-11,13-14,16-17H,6,12H2,1-5H3,(H,19,20)
InChIKeyRBPDULFFDNNDIV-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.89
Rot. Bonds8

About N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide

N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide (PubChem CID 102914465) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
PubChem CID102914465
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO2/c1-6-17(21-15-10-8-7-9-11-15)18(20)19-12-16(13(2)3)14(4)5/h7-11,13-14,16-17H,6,12H2,1-5H3,(H,19,20)
InChIKeyRBPDULFFDNNDIV-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
3-methyl-2-[(2-phenoxybutanoylamino)methyl]butanoic acid
CID 65220479
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide (CID 102914465) is N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide?
The InChIKey is RBPDULFFDNNDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-17(21-15-10-8-7-9-11-15)18(20)19-12-16(13(2)3)14(4)5/h7-11,13-14,16-17H,6,12H2,1-5H3,(H,19,20).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide?
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide has a molecular weight of 291.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide is sourced from PubChem (CID 102914465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).