3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide

C16H26N2O2 — CID 120501367

IUPAC3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
SMILESCC(C)CCOc1ccc(NC(=O)C(C)C(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)18-16(19)12(3)13(4)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyVQDFUPMWYDFQLM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds7

About 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide

3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide (PubChem CID 120501367) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
PubChem CID120501367
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
SMILESCC(C)CCOc1ccc(NC(=O)C(C)C(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)18-16(19)12(3)13(4)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyVQDFUPMWYDFQLM-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-[(3-amino-2-methylbutanoyl)amino]phenoxy]butanoate
CID 120500832
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54795816
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
2-bromo-N-[4-[4-(3-methylbutoxy)anilino]phenyl]acetamide
CID 24832146
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334
2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide (CID 120501367) is 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide is CC(C)CCOc1ccc(NC(=O)C(C)C(C)N)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide?
The InChIKey is VQDFUPMWYDFQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)9-10-20-15-7-5-14(6-8-15)18-16(19)12(3)13(4)17/h5-8,11-13H,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide?
3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide is sourced from PubChem (CID 120501367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).