N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide

C12H17N3O2 — CID 108887986

IUPACN-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
SMILESCc1cccc(NC(=O)N(C=O)CCCN)c1
InChIInChI=1S/C12H17N3O2/c1-10-4-2-5-11(8-10)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17)
InChIKeySOAJOPAMJOXCOO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.33
Rot. Bonds5

About N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide

N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide (PubChem CID 108887986) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
PubChem CID108887986
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
SMILESCc1cccc(NC(=O)N(C=O)CCCN)c1
InChIInChI=1S/C12H17N3O2/c1-10-4-2-5-11(8-10)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17)
InChIKeySOAJOPAMJOXCOO-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.33
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-methoxyphenyl)carbamoyl]formamide
CID 108869157
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N-(3-aminopropyl)-N-[(2,4-dimethylphenoxy)methylcarbamoyl]formamide
CID 108870763
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
N'-(3-aminopropyl)-N-(4-bromo-3-methylphenyl)-N'-formyloxamide
CID 108528915
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide (CID 108887986) is N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide is Cc1cccc(NC(=O)N(C=O)CCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide?
The InChIKey is SOAJOPAMJOXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10-4-2-5-11(8-10)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17).
What are the key properties of N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide?
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide has a molecular weight of 235.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide is sourced from PubChem (CID 108887986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).