4-amino-N-propan-2-ylbenzamide;ethane

C12H20N2O — CID 144913195

IUPAC4-amino-N-propan-2-ylbenzamide;ethane
SMILESCC.CC(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H14N2O.C2H6/c1-7(2)12-10(13)8-3-5-9(11)6-4-8;1-2/h3-7H,11H2,1-2H3,(H,12,13);1-2H3
InChIKeySPWOBMYQWNCCBZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.43
Rot. Bonds2

About 4-amino-N-propan-2-ylbenzamide;ethane

4-amino-N-propan-2-ylbenzamide;ethane (PubChem CID 144913195) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-amino-N-propan-2-ylbenzamide;ethane.

Molecular Properties

Compound Name4-amino-N-propan-2-ylbenzamide;ethane
PubChem CID144913195
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-amino-N-propan-2-ylbenzamide;ethane
SMILESCC.CC(C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H14N2O.C2H6/c1-7(2)12-10(13)8-3-5-9(11)6-4-8;1-2/h3-7H,11H2,1-2H3,(H,12,13);1-2H3
InChIKeySPWOBMYQWNCCBZ-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butan-2-ylbenzamide
CID 3503917
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
4-[(4-aminobenzoyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 174728645

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-ylbenzamide;ethane?
The IUPAC name of 4-amino-N-propan-2-ylbenzamide;ethane (CID 144913195) is 4-amino-N-propan-2-ylbenzamide;ethane.
What is the SMILES notation for 4-amino-N-propan-2-ylbenzamide;ethane?
The canonical SMILES for 4-amino-N-propan-2-ylbenzamide;ethane is CC.CC(C)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-propan-2-ylbenzamide;ethane?
The InChIKey is SPWOBMYQWNCCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-7(2)12-10(13)8-3-5-9(11)6-4-8;1-2/h3-7H,11H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of 4-amino-N-propan-2-ylbenzamide;ethane?
4-amino-N-propan-2-ylbenzamide;ethane has a molecular weight of 208.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-ylbenzamide;ethane is sourced from PubChem (CID 144913195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).