2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide

C16H26N2O3 — CID 76911958

IUPAC2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
SMILESCCC(C)N(CCOC)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-4-12(2)18(9-10-21-3)16(20)15(17)11-13-5-7-14(19)8-6-13/h5-8,12,15,19H,4,9-11,17H2,1-3H3
InChIKeyXSOIBPTUIJWAMQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.54
Rot. Bonds8

About 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide

2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide (PubChem CID 76911958) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
PubChem CID76911958
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
SMILESCCC(C)N(CCOC)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-4-12(2)18(9-10-21-3)16(20)15(17)11-13-5-7-14(19)8-6-13/h5-8,12,15,19H,4,9-11,17H2,1-3H3
InChIKeyXSOIBPTUIJWAMQ-UHFFFAOYSA-N
XLogP1.54
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272186
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-methoxyethyl)amino]acetic acid
CID 103869710
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 61156291
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-hexylamino]-3-methylpentanamide
CID 174387230
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide (CID 76911958) is 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide is CCC(C)N(CCOC)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is XSOIBPTUIJWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-12(2)18(9-10-21-3)16(20)15(17)11-13-5-7-14(19)8-6-13/h5-8,12,15,19H,4,9-11,17H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide?
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 76911958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).