(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide

C20H29N3O4 — CID 7362538

IUPAC(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC1CC1
InChIInChI=1S/C20H29N3O4/c1-4-14(2)20(26)23(12-15-5-6-15)13-19(25)21-11-18(24)22-16-7-9-17(27-3)10-8-16/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyBVYHJHHKKDKRBT-AWEZNQCLSA-N
MW375.47 g/mol
LogP2.03
Rot. Bonds10

About (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide

(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide (PubChem CID 7362538) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
PubChem CID7362538
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC1CC1
InChIInChI=1S/C20H29N3O4/c1-4-14(2)20(26)23(12-15-5-6-15)13-19(25)21-11-18(24)22-16-7-9-17(27-3)10-8-16/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyBVYHJHHKKDKRBT-AWEZNQCLSA-N
XLogP2.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide 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-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
CID 7337594
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
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]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
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-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
CID 3487496
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42770719
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
cyclopropyl-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7297720
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide (CID 7362538) is (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide is CC[C@H](C)C(=O)N(CC(=O)NCC(=O)Nc1ccc(OC)cc1)CC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is BVYHJHHKKDKRBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-14(2)20(26)23(12-15-5-6-15)13-19(25)21-11-18(24)22-16-7-9-17(27-3)10-8-16/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide?
(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 375.47 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 7362538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).