2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide

C20H32N2O3 — CID 132700582

IUPAC2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(CC)C(=O)NC(C)CC
InChIInChI=1S/C20H32N2O3/c1-6-9-19(23)22(14-16-10-12-17(25-5)13-11-16)18(8-3)20(24)21-15(4)7-2/h10-13,15,18H,6-9,14H2,1-5H3,(H,21,24)
InChIKeyIASLVMKHRMPTDO-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.52
Rot. Bonds10

About 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide

2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide (PubChem CID 132700582) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
PubChem CID132700582
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(CC)C(=O)NC(C)CC
InChIInChI=1S/C20H32N2O3/c1-6-9-19(23)22(14-16-10-12-17(25-5)13-11-16)18(8-3)20(24)21-15(4)7-2/h10-13,15,18H,6-9,14H2,1-5H3,(H,21,24)
InChIKeyIASLVMKHRMPTDO-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-(4-chlorophenoxy)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132723660
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677444
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
(2S)-N-[(2S)-butan-2-yl]-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 125091898
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132720248
N-butan-2-yl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132707050
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide
CID 100731852
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100624094
N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 132733977
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 100618177
N-butan-2-yl-2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132737380
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100620913

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide?
The IUPAC name of 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide (CID 132700582) is 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide?
The canonical SMILES for 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide is CCCC(=O)N(Cc1ccc(OC)cc1)C(CC)C(=O)NC(C)CC.
What is the InChIKey of 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide?
The InChIKey is IASLVMKHRMPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-6-9-19(23)22(14-16-10-12-17(25-5)13-11-16)18(8-3)20(24)21-15(4)7-2/h10-13,15,18H,6-9,14H2,1-5H3,(H,21,24).
What are the key properties of 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide?
2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide has a molecular weight of 348.49 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide is sourced from PubChem (CID 132700582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).