(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide

C23H30N4O4 — CID 34299749

IUPAC(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N4O4/c1-14(2)24-22(29)12-17-6-8-18(9-7-17)25-15(3)23(30)27-20-13-19(26-16(4)28)10-11-21(20)31-5/h6-11,13-15,25H,12H2,1-5H3,(H,24,29)(H,26,28)(H,27,30)/t15-/m1/s1
InChIKeyBHPZGFRLQTWLQD-OAHLLOKOSA-N
MW426.52 g/mol
LogP3.16
Rot. Bonds9

About (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide

(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide (PubChem CID 34299749) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
PubChem CID34299749
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N4O4/c1-14(2)24-22(29)12-17-6-8-18(9-7-17)25-15(3)23(30)27-20-13-19(26-16(4)28)10-11-21(20)31-5/h6-11,13-15,25H,12H2,1-5H3,(H,24,29)(H,26,28)(H,27,30)/t15-/m1/s1
InChIKeyBHPZGFRLQTWLQD-OAHLLOKOSA-N
XLogP3.16
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
CID 55572382
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
N-(5-acetamido-2-methoxyphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 33178137
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide?
The IUPAC name of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide (CID 34299749) is (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide.
What is the SMILES notation for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide?
The canonical SMILES for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide is COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide?
The InChIKey is BHPZGFRLQTWLQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-14(2)24-22(29)12-17-6-8-18(9-7-17)25-15(3)23(30)27-20-13-19(26-16(4)28)10-11-21(20)31-5/h6-11,13-15,25H,12H2,1-5H3,(H,24,29)(H,26,28)(H,27,30)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide?
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide has a molecular weight of 426.52 g/mol, XLogP of 3.16, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide is sourced from PubChem (CID 34299749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).