N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide

C7H16N4O — CID 62360115

IUPACN-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCNC(=O)C(C)N/C(N)=N/C
InChIInChI=1S/C7H16N4O/c1-4-10-6(12)5(2)11-7(8)9-3/h5H,4H2,1-3H3,(H,10,12)(H3,8,9,11)
InChIKeyDIPJWZOTSVOUFT-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.95
Rot. Bonds3

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

N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide (PubChem CID 62360115) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
PubChem CID62360115
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESCCNC(=O)C(C)N/C(N)=N/C
InChIInChI=1S/C7H16N4O/c1-4-10-6(12)5(2)11-7(8)9-3/h5H,4H2,1-3H3,(H,10,12)(H3,8,9,11)
InChIKeyDIPJWZOTSVOUFT-UHFFFAOYSA-N
XLogP-0.95
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
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

(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
CID 130666176
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
cis-(1R,3S)-3-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091737
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43579241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide (CID 62360115) is N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide is CCNC(=O)C(C)N/C(N)=N/C.
What is the InChIKey of N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
The InChIKey is DIPJWZOTSVOUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-4-10-6(12)5(2)11-7(8)9-3/h5H,4H2,1-3H3,(H,10,12)(H3,8,9,11).
What are the key properties of N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide?
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 62360115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).