2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide

C17H28N2O — CID 107472103

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
SMILESCC(Cc1ccccc1)NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(10-14-8-6-5-7-9-14)19-16(20)15(12-18)11-17(2,3)4/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)
InChIKeyJXWJLXVIAOZZEX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.74
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide (PubChem CID 107472103) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
PubChem CID107472103
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
SMILESCC(Cc1ccccc1)NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(10-14-8-6-5-7-9-14)19-16(20)15(12-18)11-17(2,3)4/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20)
InChIKeyJXWJLXVIAOZZEX-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide (CID 107472103) is 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide is CC(Cc1ccccc1)NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide?
The InChIKey is JXWJLXVIAOZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(10-14-8-6-5-7-9-14)19-16(20)15(12-18)11-17(2,3)4/h5-9,13,15H,10-12,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide is sourced from PubChem (CID 107472103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).