N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide

C27H31N3O3 — CID 54844668

IUPACN-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1C
InChIInChI=1S/C27H31N3O3/c1-3-26(31)30-25-16-8-15-24(20(25)2)28-19-27(32)29-22-13-7-14-23(18-22)33-17-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-16,18,28H,3,9,12,17,19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyMYYNUCRNCRFCCP-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.41
Rot. Bonds11

About N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54844668) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
PubChem CID54844668
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1C
InChIInChI=1S/C27H31N3O3/c1-3-26(31)30-25-16-8-15-24(20(25)2)28-19-27(32)29-22-13-7-14-23(18-22)33-17-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-16,18,28H,3,9,12,17,19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyMYYNUCRNCRFCCP-UHFFFAOYSA-N
XLogP5.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827333
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide (CID 54844668) is N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide?
The InChIKey is MYYNUCRNCRFCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-3-26(31)30-25-16-8-15-24(20(25)2)28-19-27(32)29-22-13-7-14-23(18-22)33-17-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-16,18,28H,3,9,12,17,19H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 445.56 g/mol, XLogP of 5.41, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54844668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).