N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide

C14H20N4O2 — CID 67676557

IUPACN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)CNC2CC2)c(OC)c1
InChIInChI=1S/C14H20N4O2/c1-20-12-6-9(14(15)16)2-3-10(12)7-18-13(19)8-17-11-4-5-11/h2-3,6,11,17H,4-5,7-8H2,1H3,(H3,15,16)(H,18,19)
InChIKeyHBOWOSXQKYRWMJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.35
Rot. Bonds7

About N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide

N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide (PubChem CID 67676557) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide
PubChem CID67676557
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)CNC2CC2)c(OC)c1
InChIInChI=1S/C14H20N4O2/c1-20-12-6-9(14(15)16)2-3-10(12)7-18-13(19)8-17-11-4-5-11/h2-3,6,11,17H,4-5,7-8H2,1H3,(H3,15,16)(H,18,19)
InChIKeyHBOWOSXQKYRWMJ-UHFFFAOYSA-N
XLogP0.35
TPSA100.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.35
H-Bond Donors ≤ 54
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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Related Compounds

2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenyl]-(cyclohexylcarbamoyl)-dimethylazanium
CID 69491610
2-(cyclopropylamino)-N-[(5-ethyl-2-methoxyphenyl)methyl]acetamide
CID 115158448
N-[[4-carbamimidoyl-2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 11213818
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014
2-[5-carbamimidoyl-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 143196886
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-[[4-carbamimidoyl-2-(2-methoxyethylamino)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 11338547
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 10185327
4-(1,1-dioxothiolan-3-yl)oxy-3-methoxybenzenecarboximidamide
CID 54914693

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide (CID 67676557) is N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide is [H]/N=C(\N)c1ccc(CNC(=O)CNC2CC2)c(OC)c1.
What is the InChIKey of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide?
The InChIKey is HBOWOSXQKYRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-12-6-9(14(15)16)2-3-10(12)7-18-13(19)8-17-11-4-5-11/h2-3,6,11,17H,4-5,7-8H2,1H3,(H3,15,16)(H,18,19).
What are the key properties of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide?
N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 67676557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).