N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

C24H30N4O3 — CID 54841570

IUPACN-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C24H30N4O3/c1-3-22(29)27-21-15-20(10-7-17(21)2)26-23(30)16-25-19-11-8-18(9-12-19)24(31)28-13-5-4-6-14-28/h7-12,15,25H,3-6,13-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySNCAPYCGMOZJRJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.02
Rot. Bonds7

About N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide

N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (PubChem CID 54841570) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
PubChem CID54841570
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C24H30N4O3/c1-3-22(29)27-21-15-20(10-7-17(21)2)26-23(30)16-25-19-11-8-18(9-12-19)24(31)28-13-5-4-6-14-28/h7-12,15,25H,3-6,13-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySNCAPYCGMOZJRJ-UHFFFAOYSA-N
XLogP4.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
N-[4-chloro-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834192
N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843134
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide (CID 54841570) is N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
The InChIKey is SNCAPYCGMOZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-22(29)27-21-15-20(10-7-17(21)2)26-23(30)16-25-19-11-8-18(9-12-19)24(31)28-13-5-4-6-14-28/h7-12,15,25H,3-6,13-14,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide?
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).