3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

C16H22N4O — CID 115426635

IUPAC3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCn1ccnc1C(NC(=O)C(C)(C)CN)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,11-17)15(21)19-13(12-7-5-4-6-8-12)14-18-9-10-20(14)3/h4-10,13H,11,17H2,1-3H3,(H,19,21)
InChIKeyCLQDTNPHTRYZFX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 115426635) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID115426635
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCn1ccnc1C(NC(=O)C(C)(C)CN)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2,11-17)15(21)19-13(12-7-5-4-6-8-12)14-18-9-10-20(14)3/h4-10,13H,11,17H2,1-3H3,(H,19,21)
InChIKeyCLQDTNPHTRYZFX-UHFFFAOYSA-N
XLogP1.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 79349483
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 110429504
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (CID 115426635) is 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is Cn1ccnc1C(NC(=O)C(C)(C)CN)c1ccccc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is CLQDTNPHTRYZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,11-17)15(21)19-13(12-7-5-4-6-8-12)14-18-9-10-20(14)3/h4-10,13H,11,17H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 115426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).