N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide

C20H25N3O4 — CID 82097492

IUPACN-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide
SMILESCOc1cccc(OCC(=O)NCc2ccc(C(=O)NCCCN)cc2)c1
InChIInChI=1S/C20H25N3O4/c1-26-17-4-2-5-18(12-17)27-14-19(24)23-13-15-6-8-16(9-7-15)20(25)22-11-3-10-21/h2,4-9,12H,3,10-11,13-14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyWYAMHEGPRLQXQZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.47
Rot. Bonds10

About N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide

N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide (PubChem CID 82097492) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide
PubChem CID82097492
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide
SMILESCOc1cccc(OCC(=O)NCc2ccc(C(=O)NCCCN)cc2)c1
InChIInChI=1S/C20H25N3O4/c1-26-17-4-2-5-18(12-17)27-14-19(24)23-13-15-6-8-16(9-7-15)20(25)22-11-3-10-21/h2,4-9,12H,3,10-11,13-14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyWYAMHEGPRLQXQZ-UHFFFAOYSA-N
XLogP1.47
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
CID 86991598
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide (CID 82097492) is N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide is COc1cccc(OCC(=O)NCc2ccc(C(=O)NCCCN)cc2)c1.
What is the InChIKey of N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is WYAMHEGPRLQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-17-4-2-5-18(12-17)27-14-19(24)23-13-15-6-8-16(9-7-15)20(25)22-11-3-10-21/h2,4-9,12H,3,10-11,13-14,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide?
N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 1.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 82097492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).