N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide

C16H25N3O3 — CID 54829023

IUPACN-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNCCCOC)ccc1C
InChIInChI=1S/C16H25N3O3/c1-4-15(20)19-14-10-13(7-6-12(14)2)18-16(21)11-17-8-5-9-22-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNCCQXLNPFFRPHZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.91
Rot. Bonds9

About N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54829023) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54829023
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNCCCOC)ccc1C
InChIInChI=1S/C16H25N3O3/c1-4-15(20)19-14-10-13(7-6-12(14)2)18-16(21)11-17-8-5-9-22-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNCCQXLNPFFRPHZ-UHFFFAOYSA-N
XLogP1.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.91
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-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
CID 54829165
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide (CID 54829023) is N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNCCCOC)ccc1C.
What is the InChIKey of N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is NCCQXLNPFFRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-15(20)19-14-10-13(7-6-12(14)2)18-16(21)11-17-8-5-9-22-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54829023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).