N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide

C17H28N2O — CID 63755951

IUPACN-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-11-15(4-2)17(20)19-16(13-18)12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,18H2,1-2H3,(H,19,20)
InChIKeyZCTDMUZFVPFJJG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds9

About N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide

N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide (PubChem CID 63755951) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
PubChem CID63755951
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-11-15(4-2)17(20)19-16(13-18)12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,18H2,1-2H3,(H,19,20)
InChIKeyZCTDMUZFVPFJJG-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
CID 106180051
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
3-amino-4-oxo-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 54308046
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide (CID 63755951) is N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(CN)Cc1ccccc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide?
The InChIKey is ZCTDMUZFVPFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-11-15(4-2)17(20)19-16(13-18)12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide?
N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide has a molecular weight of 276.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 63755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).