4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide

C11H15N3O2 — CID 43420714

IUPAC4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c12-10(15)5-6-14-7-8-1-3-9(4-2-8)11(13)16/h1-4,14H,5-7H2,(H2,12,15)(H2,13,16)
InChIKeyFHYXJWDIHTZOBV-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.25
Rot. Bonds6

About 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide

4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide (PubChem CID 43420714) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
PubChem CID43420714
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c12-10(15)5-6-14-7-8-1-3-9(4-2-8)11(13)16/h1-4,14H,5-7H2,(H2,12,15)(H2,13,16)
InChIKeyFHYXJWDIHTZOBV-UHFFFAOYSA-N
XLogP-0.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide (CID 43420714) is 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide is NC(=O)CCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide?
The InChIKey is FHYXJWDIHTZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10(15)5-6-14-7-8-1-3-9(4-2-8)11(13)16/h1-4,14H,5-7H2,(H2,12,15)(H2,13,16).
What are the key properties of 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide?
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide is sourced from PubChem (CID 43420714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).