N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide

C16H25NO2 — CID 134037762

IUPACN-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-6-12(4)17-16(18)13(5)19-15-9-7-8-14(10-15)11(2)3/h7-13H,6H2,1-5H3,(H,17,18)
InChIKeyMQEVUPOABGCTGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds6

About N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide

N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 134037762) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID134037762
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
SMILESCCC(C)NC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C16H25NO2/c1-6-12(4)17-16(18)13(5)19-15-9-7-8-14(10-15)11(2)3/h7-13H,6H2,1-5H3,(H,17,18)
InChIKeyMQEVUPOABGCTGK-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
CID 52652389
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778184
(3R)-3-cyclopropyl-3-[[(2S)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778185
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide (CID 134037762) is N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide is CCC(C)NC(=O)C(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is MQEVUPOABGCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12(4)17-16(18)13(5)19-15-9-7-8-14(10-15)11(2)3/h7-13H,6H2,1-5H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide?
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 134037762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).