4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide

C12H18N2O — CID 30046782

IUPAC4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O/c1-3-9(2)14-12(15)11-6-4-10(8-13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyFWYCYHLNNZQGIU-SECBINFHSA-N
MW206.29 g/mol
LogP1.67
Rot. Bonds4

About 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide

4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide (PubChem CID 30046782) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
PubChem CID30046782
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O/c1-3-9(2)14-12(15)11-6-4-10(8-13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyFWYCYHLNNZQGIU-SECBINFHSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
N-butan-2-yl-4-(sulfanylmethyl)benzamide
CID 156809671
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-butan-2-yl-4-(sulfanylmethyl)benzamide;formamide
CID 156809670
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 43697529
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide (CID 30046782) is 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide is CC[C@@H](C)NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide?
The InChIKey is FWYCYHLNNZQGIU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-9(2)14-12(15)11-6-4-10(8-13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide?
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide has a molecular weight of 206.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide is sourced from PubChem (CID 30046782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).