N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide

C14H19N3O2 — CID 110469237

IUPACN-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c18-11-15-9-4-10-16-13(19)17-14(7-8-14)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,18)(H2,16,17,19)
InChIKeyAHDYMOOTYLEXFU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.11
Rot. Bonds7

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

N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide (PubChem CID 110469237) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
PubChem CID110469237
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
SMILESO=CNCCCNC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c18-11-15-9-4-10-16-13(19)17-14(7-8-14)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,18)(H2,16,17,19)
InChIKeyAHDYMOOTYLEXFU-UHFFFAOYSA-N
XLogP1.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
1-(2,2-dimethoxyethyl)-3-(1-phenylcyclopropyl)urea
CID 110490769
1-(2-morpholin-4-ylethyl)-3-(1-phenylcyclobutyl)urea
CID 113216911
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
CID 110463360
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide (CID 110469237) is N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide is O=CNCCCNC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide?
The InChIKey is AHDYMOOTYLEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11-15-9-4-10-16-13(19)17-14(7-8-14)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,15,18)(H2,16,17,19).
What are the key properties of N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide?
N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide has a molecular weight of 261.32 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide is sourced from PubChem (CID 110469237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).