2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

C19H23N5O3 — CID 11164549

IUPAC2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)NCC(=O)N[C@@H](C)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
InChIKeyGLFJKCDLOVHCTQ-LBPRGKRZSA-N
MW369.43 g/mol
LogP1.98
Rot. Bonds7

About 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 11164549) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID11164549
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)NCC(=O)N[C@@H](C)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
InChIKeyGLFJKCDLOVHCTQ-LBPRGKRZSA-N
XLogP1.98
TPSA129.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (CID 11164549) is 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)NCC(=O)N[C@@H](C)c2cccc(OC)c2)cc1.
What is the InChIKey of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is GLFJKCDLOVHCTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1.
What are the key properties of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 11164549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).