N-(N'-propoxycarbamimidoyl)acetamide

C6H13N3O2 — CID 154044965

IUPACN-(N'-propoxycarbamimidoyl)acetamide
SMILESCCCON=C(N)NC(C)=O
InChIInChI=1S/C6H13N3O2/c1-3-4-11-9-6(7)8-5(2)10/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyZMDISZMYWDANAC-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.22
Rot. Bonds3

About N-(N'-propoxycarbamimidoyl)acetamide

N-(N'-propoxycarbamimidoyl)acetamide (PubChem CID 154044965) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(N'-propoxycarbamimidoyl)acetamide.

Molecular Properties

Compound NameN-(N'-propoxycarbamimidoyl)acetamide
PubChem CID154044965
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-(N'-propoxycarbamimidoyl)acetamide
SMILESCCCON=C(N)NC(C)=O
InChIInChI=1S/C6H13N3O2/c1-3-4-11-9-6(7)8-5(2)10/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyZMDISZMYWDANAC-UHFFFAOYSA-N
XLogP-0.22
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-propoxyiminopentanehydrazide
CID 142466122
N-(N'-butoxycarbamimidoyl)formamide
CID 135985100
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
methyl 4-chloro-3-oxo-2-propoxyiminobutanoate
CID 54254776
tert-butyl N-[1-amino-4-[(E)-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]oxy-1-oxobutan-2-yl]carbamate
CID 167996675
propyl acetate;hydrate
CID 122690555
propyl carbamate;dihydrochloride
CID 87576214
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
propyl N-(diaminomethylidene)carbamate
CID 154200308
2-amino-1-propoxyguanidine
CID 130609787
1-methoxypropane;methyl propyl carbonate
CID 159112216
methyl 3-(1-ethoxyethylideneamino)oxypropanoate
CID 71331645

Frequently Asked Questions

What is the IUPAC name of N-(N'-propoxycarbamimidoyl)acetamide?
The IUPAC name of N-(N'-propoxycarbamimidoyl)acetamide (CID 154044965) is N-(N'-propoxycarbamimidoyl)acetamide.
What is the SMILES notation for N-(N'-propoxycarbamimidoyl)acetamide?
The canonical SMILES for N-(N'-propoxycarbamimidoyl)acetamide is CCCON=C(N)NC(C)=O.
What is the InChIKey of N-(N'-propoxycarbamimidoyl)acetamide?
The InChIKey is ZMDISZMYWDANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-4-11-9-6(7)8-5(2)10/h3-4H2,1-2H3,(H3,7,8,9,10).
What are the key properties of N-(N'-propoxycarbamimidoyl)acetamide?
N-(N'-propoxycarbamimidoyl)acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-propoxycarbamimidoyl)acetamide is sourced from PubChem (CID 154044965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).