(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide

C16H25N3O2 — CID 104902669

IUPAC(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-18-15(20)10-12-5-7-13(8-6-12)19-16(21)14(17)9-11(2)3/h5-8,11,14H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyJQYRSEFJNIUNTA-CQSZACIVSA-N
MW291.40 g/mol
LogP1.68
Rot. Bonds7

About (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide

(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide (PubChem CID 104902669) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
PubChem CID104902669
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-18-15(20)10-12-5-7-13(8-6-12)19-16(21)14(17)9-11(2)3/h5-8,11,14H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyJQYRSEFJNIUNTA-CQSZACIVSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
(2S)-2-amino-4-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
CID 119739628
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide (CID 104902669) is (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide is CCNC(=O)Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide?
The InChIKey is JQYRSEFJNIUNTA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-18-15(20)10-12-5-7-13(8-6-12)19-16(21)14(17)9-11(2)3/h5-8,11,14H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide has a molecular weight of 291.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 104902669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).