N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide

C27H38N4O2 — CID 24573425

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C27H38N4O2/c1-5-22-13-7-9-15-24(22)28-26(32)20-30(4)27(33)21(2)29(3)19-23-14-8-10-16-25(23)31-17-11-6-12-18-31/h7-10,13-16,21H,5-6,11-12,17-20H2,1-4H3,(H,28,32)
InChIKeyVIILGUUXJFKXKF-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.16
Rot. Bonds9

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide (PubChem CID 24573425) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
PubChem CID24573425
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C27H38N4O2/c1-5-22-13-7-9-15-24(22)28-26(32)20-30(4)27(33)21(2)29(3)19-23-14-8-10-16-25(23)31-17-11-6-12-18-31/h7-10,13-16,21H,5-6,11-12,17-20H2,1-4H3,(H,28,32)
InChIKeyVIILGUUXJFKXKF-UHFFFAOYSA-N
XLogP4.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 41337356
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]propanamide
CID 78825915
1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42542888
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
(2R)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-(4-nitrophenyl)propanamide
CID 40795616
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515351
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 25360218

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide (CID 24573425) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)N(C)Cc1ccccc1N1CCCCC1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
The InChIKey is VIILGUUXJFKXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-5-22-13-7-9-15-24(22)28-26(32)20-30(4)27(33)21(2)29(3)19-23-14-8-10-16-25(23)31-17-11-6-12-18-31/h7-10,13-16,21H,5-6,11-12,17-20H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide has a molecular weight of 450.63 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 24573425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).