N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide

C15H24N2O2 — CID 115271618

IUPACN-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NCC(C)CN
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-6-13(14(7-12)19-4)15(18)17-9-11(3)8-16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyXRYWZCHOUDXZQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide

N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide (PubChem CID 115271618) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
PubChem CID115271618
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
SMILESCOc1cc(C(C)C)ccc1C(=O)NCC(C)CN
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-6-13(14(7-12)19-4)15(18)17-9-11(3)8-16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyXRYWZCHOUDXZQG-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
CID 110762942
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide (CID 115271618) is N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide is COc1cc(C(C)C)ccc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide?
The InChIKey is XRYWZCHOUDXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)12-5-6-13(14(7-12)19-4)15(18)17-9-11(3)8-16/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide?
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide is sourced from PubChem (CID 115271618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).