N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide

C24H31N3O3 — CID 54841714

IUPACN-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(2)17-30-22-9-5-4-8-21(22)26-23(28)16-25-20-12-10-19(11-13-20)24(29)27-14-6-3-7-15-27/h4-5,8-13,18,25H,3,6-7,14-17H2,1-2H3,(H,26,28)
InChIKeyMTXDDTNSBLRHTE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.40
Rot. Bonds8

About N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide

N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54841714) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54841714
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(2)17-30-22-9-5-4-8-21(22)26-23(28)16-25-20-12-10-19(11-13-20)24(29)27-14-6-3-7-15-27/h4-5,8-13,18,25H,3,6-7,14-17H2,1-2H3,(H,26,28)
InChIKeyMTXDDTNSBLRHTE-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54834877
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836401
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-(2,3-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841651
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
4-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846111

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (CID 54841714) is N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is CC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is MTXDDTNSBLRHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(2)17-30-22-9-5-4-8-21(22)26-23(28)16-25-20-12-10-19(11-13-20)24(29)27-14-6-3-7-15-27/h4-5,8-13,18,25H,3,6-7,14-17H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).