2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide

C16H26N2O2 — CID 114350573

IUPAC2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O2/c1-4-12(3)11-18(5-2)16(20)15(17)10-13-6-8-14(19)9-7-13/h6-9,12,15,19H,4-5,10-11,17H2,1-3H3
InChIKeyNZXKXCVHMFCEMU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.16
Rot. Bonds7

About 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide

2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide (PubChem CID 114350573) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
PubChem CID114350573
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O2/c1-4-12(3)11-18(5-2)16(20)15(17)10-13-6-8-14(19)9-7-13/h6-9,12,15,19H,4-5,10-11,17H2,1-3H3
InChIKeyNZXKXCVHMFCEMU-UHFFFAOYSA-N
XLogP2.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-ethyl-N-(2-methylpropyl)propanamide
CID 61156232
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
CID 76894772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide?
The IUPAC name of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide (CID 114350573) is 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide is CCC(C)CN(CC)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide?
The InChIKey is NZXKXCVHMFCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12(3)11-18(5-2)16(20)15(17)10-13-6-8-14(19)9-7-13/h6-9,12,15,19H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide?
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 114350573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).