N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide

C15H23N3O2 — CID 54844965

IUPACN-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)NC(C)C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-14(19)18-13-8-12(7-6-11(13)4)16-9-15(20)17-10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIEEDBOVGKBFJNC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds6

About N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide

N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide (PubChem CID 54844965) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
PubChem CID54844965
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)NC(C)C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-14(19)18-13-8-12(7-6-11(13)4)16-9-15(20)17-10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyIEEDBOVGKBFJNC-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide (CID 54844965) is N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NCC(=O)NC(C)C)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide?
The InChIKey is IEEDBOVGKBFJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-14(19)18-13-8-12(7-6-11(13)4)16-9-15(20)17-10(2)3/h6-8,10,16H,5,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide?
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54844965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).