N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide

C16H26N2O — CID 63833481

IUPACN-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)10-15(19)18-11-14(17)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyJBHAXAVIOOQDBZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide

N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide (PubChem CID 63833481) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
PubChem CID63833481
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)10-15(19)18-11-14(17)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyJBHAXAVIOOQDBZ-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide (CID 63833481) is N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCC(N)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide?
The InChIKey is JBHAXAVIOOQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(16(2,3)4)10-15(19)18-11-14(17)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide?
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63833481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).