N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide

C8H15N3O2 — CID 108910349

IUPACN-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
SMILESC=C(C)NC(=O)NCCCNC=O
InChIInChI=1S/C8H15N3O2/c1-7(2)11-8(13)10-5-3-4-9-6-12/h6H,1,3-5H2,2H3,(H,9,12)(H2,10,11,13)
InChIKeyZCEBBGDKSFERFP-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.04
Rot. Bonds6

About N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide

N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide (PubChem CID 108910349) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide.

Molecular Properties

Compound NameN-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
PubChem CID108910349
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
SMILESC=C(C)NC(=O)NCCCNC=O
InChIInChI=1S/C8H15N3O2/c1-7(2)11-8(13)10-5-3-4-9-6-12/h6H,1,3-5H2,2H3,(H,9,12)(H2,10,11,13)
InChIKeyZCEBBGDKSFERFP-UHFFFAOYSA-N
XLogP-0.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.04
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

4-(prop-1-en-2-ylcarbamoylamino)butanoic acid
CID 108910206
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
N-(3-formamidopropyl)-N'-prop-2-enyloxamide
CID 108526430
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
CID 108892277
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
1-(4-methyl-3-oxopent-4-enyl)-3-(4-oxobutyl)urea
CID 151059749
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123

Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide?
The IUPAC name of N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide (CID 108910349) is N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide.
What is the SMILES notation for N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide?
The canonical SMILES for N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide is C=C(C)NC(=O)NCCCNC=O.
What is the InChIKey of N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide?
The InChIKey is ZCEBBGDKSFERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)11-8(13)10-5-3-4-9-6-12/h6H,1,3-5H2,2H3,(H,9,12)(H2,10,11,13).
What are the key properties of N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide?
N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide has a molecular weight of 185.23 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide is sourced from PubChem (CID 108910349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).