N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide

C14H20N4O2 — CID 110491003

IUPACN-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
SMILESNc1cccc(C2(NC(=O)NCCCNC=O)CC2)c1
InChIInChI=1S/C14H20N4O2/c15-12-4-1-3-11(9-12)14(5-6-14)18-13(20)17-8-2-7-16-10-19/h1,3-4,9-10H,2,5-8,15H2,(H,16,19)(H2,17,18,20)
InChIKeyOXCAWSRZHYQDFF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.69
Rot. Bonds7

About N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide

N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide (PubChem CID 110491003) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
PubChem CID110491003
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
SMILESNc1cccc(C2(NC(=O)NCCCNC=O)CC2)c1
InChIInChI=1S/C14H20N4O2/c15-12-4-1-3-11(9-12)14(5-6-14)18-13(20)17-8-2-7-16-10-19/h1,3-4,9-10H,2,5-8,15H2,(H,16,19)(H2,17,18,20)
InChIKeyOXCAWSRZHYQDFF-UHFFFAOYSA-N
XLogP0.69
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
CID 110469237
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
2-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110490983
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide (CID 110491003) is N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide is Nc1cccc(C2(NC(=O)NCCCNC=O)CC2)c1.
What is the InChIKey of N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide?
The InChIKey is OXCAWSRZHYQDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-12-4-1-3-11(9-12)14(5-6-14)18-13(20)17-8-2-7-16-10-19/h1,3-4,9-10H,2,5-8,15H2,(H,16,19)(H2,17,18,20).
What are the key properties of N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide?
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide has a molecular weight of 276.34 g/mol, XLogP of 0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide is sourced from PubChem (CID 110491003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).