(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C27H38N4O2 — CID 30735580

IUPAC(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C27H38N4O2/c1-6-19(2)23-12-7-8-13-24(23)28-27(33)22(5)31-16-14-30(15-17-31)18-25(32)29-26-20(3)10-9-11-21(26)4/h7-13,19,22H,6,14-18H2,1-5H3,(H,28,33)(H,29,32)/t19-,22+/m1/s1
InChIKeyRBXZZIVBKARKLF-KNQAVFIVSA-N
MW450.63 g/mol
LogP4.40
Rot. Bonds8

About (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 30735580) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID30735580
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C27H38N4O2/c1-6-19(2)23-12-7-8-13-24(23)28-27(33)22(5)31-16-14-30(15-17-31)18-25(32)29-26-20(3)10-9-11-21(26)4/h7-13,19,22H,6,14-18H2,1-5H3,(H,28,33)(H,29,32)/t19-,22+/m1/s1
InChIKeyRBXZZIVBKARKLF-KNQAVFIVSA-N
XLogP4.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51627460
N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]acetamide
CID 30289764
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9222089

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 30735580) is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is RBXZZIVBKARKLF-KNQAVFIVSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-6-19(2)23-12-7-8-13-24(23)28-27(33)22(5)31-16-14-30(15-17-31)18-25(32)29-26-20(3)10-9-11-21(26)4/h7-13,19,22H,6,14-18H2,1-5H3,(H,28,33)(H,29,32)/t19-,22+/m1/s1.
What are the key properties of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 450.63 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30735580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).