N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide

C14H22N2O2 — CID 143203130

IUPACN-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESCCNCC(O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H22N2O2/c1-3-15-10-14(18)13(16-11(2)17)9-12-7-5-4-6-8-12/h4-8,13-15,18H,3,9-10H2,1-2H3,(H,16,17)
InChIKeySBEKEQIVRLNUHR-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.70
Rot. Bonds7

About N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide

N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide (PubChem CID 143203130) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
PubChem CID143203130
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
SMILESCCNCC(O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H22N2O2/c1-3-15-10-14(18)13(16-11(2)17)9-12-7-5-4-6-8-12/h4-8,13-15,18H,3,9-10H2,1-2H3,(H,16,17)
InChIKeySBEKEQIVRLNUHR-UHFFFAOYSA-N
XLogP0.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-4-(cyclopentylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 59132104
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]acetamide
CID 69417384
[(2S,3S)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69439631
[(2S,3S)-4-(3,3-dimethylbutylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70144987
(2S)-2-hydroxy-N-[(2S,3S)-3-hydroxy-4-[[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 167012092
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
ethane;[3-hydroxy-4-(methylamino)-1-phenylbutan-2-yl]carbamothioic S-acid
CID 143203127
tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-(methylamino)ethylamino]-1-phenylbutan-2-yl]carbamate
CID 142012207
[(2S,3R)-3-hydroxy-4-[[(3S)-2-hydroxy-3-[[2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamic acid
CID 70051236
tert-butyl N-[(2S,3R)-2-hydroxy-1-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-5-phenylpentan-3-yl]carbamate
CID 5327517
[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylbutylamino)butan-2-yl]carbamic acid
CID 68608862
[(2S,3R)-3-hydroxy-4-(3-methoxypropylamino)-1-phenylbutan-2-yl]carbamic acid
CID 68608817

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide (CID 143203130) is N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide is CCNCC(O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide?
The InChIKey is SBEKEQIVRLNUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-15-10-14(18)13(16-11(2)17)9-12-7-5-4-6-8-12/h4-8,13-15,18H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide?
N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 143203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).