N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide

C12H19N3O — CID 104877065

IUPACN-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
SMILESC[C@H](CN)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(8-13)14-12(16)10-4-6-11(7-5-10)15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeySNQRHHWLFRARCH-SECBINFHSA-N
MW221.30 g/mol
LogP0.83
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide

N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide (PubChem CID 104877065) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
PubChem CID104877065
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
SMILESC[C@H](CN)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(8-13)14-12(16)10-4-6-11(7-5-10)15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeySNQRHHWLFRARCH-SECBINFHSA-N
XLogP0.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114305447
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
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N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
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4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide (CID 104877065) is N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide is C[C@H](CN)NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is SNQRHHWLFRARCH-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(8-13)14-12(16)10-4-6-11(7-5-10)15(2)3/h4-7,9H,8,13H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide?
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 221.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 104877065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).