(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide

C20H31N3O4 — CID 7337594

IUPAC(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C20H31N3O4/c1-6-15(4)20(26)23(12-14(2)3)13-19(25)21-11-18(24)22-16-7-9-17(27-5)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyNVRWQKWDWYTAIM-HNNXBMFYSA-N
MW377.49 g/mol
LogP2.28
Rot. Bonds10

About (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide

(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide (PubChem CID 7337594) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
PubChem CID7337594
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C20H31N3O4/c1-6-15(4)20(26)23(12-14(2)3)13-19(25)21-11-18(24)22-16-7-9-17(27-5)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyNVRWQKWDWYTAIM-HNNXBMFYSA-N
XLogP2.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide with MolForge

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Related Compounds

(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 7362538
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
CID 3487496
2-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4991756
(2S)-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 7406072
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide (CID 7337594) is (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide is CC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC(C)C.
What is the InChIKey of (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is NVRWQKWDWYTAIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-6-15(4)20(26)23(12-14(2)3)13-19(25)21-11-18(24)22-16-7-9-17(27-5)10-8-16/h7-10,14-15H,6,11-13H2,1-5H3,(H,21,25)(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide?
(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 7337594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).