N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide

C19H27Cl2N3O5 — CID 22946234

IUPACN-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(O)(CC(C)C)C(C)C(=O)NO
InChIInChI=1S/C19H27Cl2N3O5/c1-10(2)9-19(28,11(3)16(25)24-29)18(27)23-15(17(26)22-4)7-12-5-6-13(20)8-14(12)21/h5-6,8,10-11,15,28-29H,7,9H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyRDFLFSYAGLZCQR-UHFFFAOYSA-N
MW448.35 g/mol
LogP1.69
Rot. Bonds9

About N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide

N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide (PubChem CID 22946234) has the molecular formula C19H27Cl2N3O5 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide
PubChem CID22946234
Molecular FormulaC19H27Cl2N3O5
Molecular Weight448.35 g/mol
Exact Mass447.13
IUPAC NameN-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(O)(CC(C)C)C(C)C(=O)NO
InChIInChI=1S/C19H27Cl2N3O5/c1-10(2)9-19(28,11(3)16(25)24-29)18(27)23-15(17(26)22-4)7-12-5-6-13(20)8-14(12)21/h5-6,8,10-11,15,28-29H,7,9H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyRDFLFSYAGLZCQR-UHFFFAOYSA-N
XLogP1.69
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N',2-dihydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methyl-2-(2-methylpropyl)butanediamide
CID 59873538
N-[3-(3,4-dichlorophenyl)-1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide
CID 22946238
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
(2S,3S)-N',2-dihydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methyl-2-propan-2-ylbutanediamide
CID 59873545
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
CID 166254759
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The IUPAC name of N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide (CID 22946234) is N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide is CNC(=O)C(Cc1ccc(Cl)cc1Cl)NC(=O)C(O)(CC(C)C)C(C)C(=O)NO.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The InChIKey is RDFLFSYAGLZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O5/c1-10(2)9-19(28,11(3)16(25)24-29)18(27)23-15(17(26)22-4)7-12-5-6-13(20)8-14(12)21/h5-6,8,10-11,15,28-29H,7,9H2,1-4H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide has a molecular weight of 448.35 g/mol, XLogP of 1.69, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N',2-dihydroxy-3-methyl-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 22946234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).