(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide

C15H21N3O2 — CID 104904779

IUPAC(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCC#N)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)18(9-3-8-16)15(20)14(17)10-12-4-6-13(19)7-5-12/h4-7,11,14,19H,3,9-10,17H2,1-2H3/t14-/m1/s1
InChIKeyUDNXORYVSNLQLF-CQSZACIVSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds6

About (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide

(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 104904779) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
PubChem CID104904779
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCC#N)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)18(9-3-8-16)15(20)14(17)10-12-4-6-13(19)7-5-12/h4-7,11,14,19H,3,9-10,17H2,1-2H3/t14-/m1/s1
InChIKeyUDNXORYVSNLQLF-CQSZACIVSA-N
XLogP1.41
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 61156291
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 76892169
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
CID 107143877
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide (CID 104904779) is (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide is CC(C)N(CCC#N)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is UDNXORYVSNLQLF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)18(9-3-8-16)15(20)14(17)10-12-4-6-13(19)7-5-12/h4-7,11,14,19H,3,9-10,17H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 104904779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).