N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide

C19H23N3O2 — CID 54817881

IUPACN-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CN(C)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-8-18(23)20-15-9-7-10-16(13-15)21-19(24)14-22(2)17-11-5-4-6-12-17/h4-7,9-13H,3,8,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRTPWPDCNEPKPNS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.50
Rot. Bonds7

About N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide

N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54817881) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
PubChem CID54817881
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CN(C)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/c1-3-8-18(23)20-15-9-7-10-16(13-15)21-19(24)14-22(2)17-11-5-4-6-12-17/h4-7,9-13H,3,8,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRTPWPDCNEPKPNS-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
CID 86962162
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
3-(butanoylamino)benzoate
CID 5092431

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide (CID 54817881) is N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CN(C)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is RTPWPDCNEPKPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-8-18(23)20-15-9-7-10-16(13-15)21-19(24)14-22(2)17-11-5-4-6-12-17/h4-7,9-13H,3,8,14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54817881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).