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N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

C20H26N4O — CID 111927171

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\Cc1ccc2ccccc2c1)NCCNC(=O)C1CC1
InChIInChI=1S/C20H26N4O/c1-2-21-20(23-12-11-22-19(25)17-9-10-17)24-14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,25)(H2,21,23,24)
InChIKeyQQQNXCQSIKLQMD-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds7

About N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111927171) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID111927171
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\Cc1ccc2ccccc2c1)NCCNC(=O)C1CC1
InChIInChI=1S/C20H26N4O/c1-2-21-20(23-12-11-22-19(25)17-9-10-17)24-14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,25)(H2,21,23,24)
InChIKeyQQQNXCQSIKLQMD-UHFFFAOYSA-N
XLogP2.42
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 111927171) is N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\Cc1ccc2ccccc2c1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is QQQNXCQSIKLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-21-20(23-12-11-22-19(25)17-9-10-17)24-14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3,(H,22,25)(H2,21,23,24).
What are the key properties of N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(naphthalen-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111927171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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