N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide

C14H21N3O2 — CID 108899749

IUPACN-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
SMILESCc1ccccc1CCNC(=O)N(C=O)CCCN
InChIInChI=1S/C14H21N3O2/c1-12-5-2-3-6-13(12)7-9-16-14(19)17(11-18)10-4-8-15/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,19)
InChIKeyKFYZHJCLTOSJLH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds7

About N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide

N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide (PubChem CID 108899749) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
PubChem CID108899749
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
SMILESCc1ccccc1CCNC(=O)N(C=O)CCCN
InChIInChI=1S/C14H21N3O2/c1-12-5-2-3-6-13(12)7-9-16-14(19)17(11-18)10-4-8-15/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,19)
InChIKeyKFYZHJCLTOSJLH-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
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-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756
N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
CID 108899771
N-(3-aminopropyl)-N-[3-(2-chlorophenoxy)propylcarbamoyl]formamide
CID 108883542
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
CID 108867513
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide (CID 108899749) is N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide is Cc1ccccc1CCNC(=O)N(C=O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide?
The InChIKey is KFYZHJCLTOSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-5-2-3-6-13(12)7-9-16-14(19)17(11-18)10-4-8-15/h2-3,5-6,11H,4,7-10,15H2,1H3,(H,16,19).
What are the key properties of N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide?
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide has a molecular weight of 263.34 g/mol, XLogP of 1.05, 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-[2-(2-methylphenyl)ethylcarbamoyl]formamide is sourced from PubChem (CID 108899749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).