N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide

C18H21N3O2 — CID 108867513

IUPACN-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
SMILESNCCCN(C=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c19-12-7-13-21(14-22)18(23)20-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13,19H2,(H,20,23)
InChIKeyIUFJLIOQISOOES-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.29
Rot. Bonds7

About N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide

N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide (PubChem CID 108867513) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
PubChem CID108867513
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
SMILESNCCCN(C=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c19-12-7-13-21(14-22)18(23)20-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13,19H2,(H,20,23)
InChIKeyIUFJLIOQISOOES-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-[1-(2-propan-2-ylphenoxy)ethylcarbamoyl]formamide
CID 108878811
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
3-benzhydryl-1,1-dibutylurea
CID 108867480
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
3-benzhydryl-1,1-dimethylurea
CID 2228466
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756
N-(benzhydrylcarbamoylamino)formamide
CID 86019653

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide?
The IUPAC name of N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide (CID 108867513) is N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide?
The canonical SMILES for N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide is NCCCN(C=O)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide?
The InChIKey is IUFJLIOQISOOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-12-7-13-21(14-22)18(23)20-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13,19H2,(H,20,23).
What are the key properties of N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide?
N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide has a molecular weight of 311.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide is sourced from PubChem (CID 108867513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).