N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide

C10H22N4O — CID 103111146

IUPACN-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
SMILESCCC/N=C(\N)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N4O/c1-5-7-12-10(11)13-8(3)9(15)14(4)6-2/h8H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyONUNDIZWHROUDU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds5

About N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide

N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide (PubChem CID 103111146) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
PubChem CID103111146
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
SMILESCCC/N=C(\N)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H22N4O/c1-5-7-12-10(11)13-8(3)9(15)14(4)6-2/h8H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyONUNDIZWHROUDU-UHFFFAOYSA-N
XLogP0.17
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109378634
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 110030387
2-[[(butan-2-ylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035899
2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111492171
2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111492172
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495614
N-methyl-2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111499857
N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111499968
N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111499969
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111499979
N-methyl-2-[(N'-methyl-N-propylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111500469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide (CID 103111146) is N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide is CCC/N=C(\N)NC(C)C(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide?
The InChIKey is ONUNDIZWHROUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-5-7-12-10(11)13-8(3)9(15)14(4)6-2/h8H,5-7H2,1-4H3,(H3,11,12,13).
What are the key properties of N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide?
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 103111146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).