(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide

C17H29N3O — CID 8019165

IUPAC(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCCN(C)C
InChIInChI=1S/C17H29N3O/c1-6-13(2)15-9-7-8-10-16(15)19-17(21)14(3)18-11-12-20(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyYRYHZTDMVWWJPM-KGLIPLIRSA-N
MW291.44 g/mol
LogP2.68
Rot. Bonds8

About (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 8019165) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID8019165
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCCN(C)C
InChIInChI=1S/C17H29N3O/c1-6-13(2)15-9-7-8-10-16(15)19-17(21)14(3)18-11-12-20(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyYRYHZTDMVWWJPM-KGLIPLIRSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 57268227
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(naphthalen-2-ylamino)propanamide
CID 2438566
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462556
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide (CID 8019165) is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCCN(C)C.
What is the InChIKey of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is YRYHZTDMVWWJPM-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-13(2)15-9-7-8-10-16(15)19-17(21)14(3)18-11-12-20(4)5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide?
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 291.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 8019165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).