N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide

C16H26N2O — CID 115272388

IUPACN-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide
SMILESCCC(C)c1ccc(C(=O)N(C)CC(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-5-13(3)14-6-8-15(9-7-14)16(19)18(4)11-12(2)10-17/h6-9,12-13H,5,10-11,17H2,1-4H3
InChIKeyMTJFXPPMHLAYFR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide

N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide (PubChem CID 115272388) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide
PubChem CID115272388
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide
SMILESCCC(C)c1ccc(C(=O)N(C)CC(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-5-13(3)14-6-8-15(9-7-14)16(19)18(4)11-12(2)10-17/h6-9,12-13H,5,10-11,17H2,1-4H3
InChIKeyMTJFXPPMHLAYFR-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-N-methylnaphthalene-2-carboxamide
CID 54992388
N-(3-amino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 54992436
4-butan-2-ylbenzohydrazide
CID 83386529
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
N-methyl-N-(2-methylbutyl)-4-(propylamino)benzamide
CID 62170173
amino 4-butan-2-ylbenzoate
CID 89484351
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-(3-amino-2-methylpropyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63085438

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide (CID 115272388) is N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide is CCC(C)c1ccc(C(=O)N(C)CC(C)CN)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide?
The InChIKey is MTJFXPPMHLAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(3)14-6-8-15(9-7-14)16(19)18(4)11-12(2)10-17/h6-9,12-13H,5,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide?
N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-butan-2-yl-N-methylbenzamide is sourced from PubChem (CID 115272388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).