4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide

C16H26N2O2 — CID 82069989

IUPAC4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(N)c(OCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)13-6-7-14(17)15(10-13)20-9-8-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19)
InChIKeyNHOBTQNPZAKJIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.22
Rot. Bonds7

About 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide

4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide (PubChem CID 82069989) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
PubChem CID82069989
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(N)c(OCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)13-6-7-14(17)15(10-13)20-9-8-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19)
InChIKeyNHOBTQNPZAKJIN-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
3-bromo-N-(butan-2-ylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17137495
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide?
The IUPAC name of 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide (CID 82069989) is 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide?
The canonical SMILES for 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide is CCC(C)NC(=O)c1ccc(N)c(OCCC(C)C)c1.
What is the InChIKey of 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide?
The InChIKey is NHOBTQNPZAKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)13-6-7-14(17)15(10-13)20-9-8-11(2)3/h6-7,10-12H,5,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide?
4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide has a molecular weight of 278.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 82069989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).