2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide

C15H24N4O — CID 142043083

IUPAC2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide
SMILES[H]/N=C(\N)c1ccc(CC(N)C(=O)N(CC)CCC)cc1
InChIInChI=1S/C15H24N4O/c1-3-9-19(4-2)15(20)13(16)10-11-5-7-12(8-6-11)14(17)18/h5-8,13H,3-4,9-10,16H2,1-2H3,(H3,17,18)
InChIKeyGZRCSFNLALLVJX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.10
Rot. Bonds7

About 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide

2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide (PubChem CID 142043083) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide
PubChem CID142043083
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide
SMILES[H]/N=C(\N)c1ccc(CC(N)C(=O)N(CC)CCC)cc1
InChIInChI=1S/C15H24N4O/c1-3-9-19(4-2)15(20)13(16)10-11-5-7-12(8-6-11)14(17)18/h5-8,13H,3-4,9-10,16H2,1-2H3,(H3,17,18)
InChIKeyGZRCSFNLALLVJX-UHFFFAOYSA-N
XLogP1.10
TPSA96.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide?
The IUPAC name of 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide (CID 142043083) is 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide.
What is the SMILES notation for 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide?
The canonical SMILES for 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide is [H]/N=C(\N)c1ccc(CC(N)C(=O)N(CC)CCC)cc1.
What is the InChIKey of 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide?
The InChIKey is GZRCSFNLALLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-9-19(4-2)15(20)13(16)10-11-5-7-12(8-6-11)14(17)18/h5-8,13H,3-4,9-10,16H2,1-2H3,(H3,17,18).
What are the key properties of 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide?
2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide is sourced from PubChem (CID 142043083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).