2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide

C20H28N4O — CID 111330326

IUPAC2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide
SMILESC/N=C(\NCCNC(=O)C(C)C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C20H28N4O/c1-14(2)19(25)22-12-13-23-20(21-4)24-15(3)17-11-7-9-16-8-5-6-10-18(16)17/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)(H2,21,23,24)
InChIKeyXLPLIFQROHRDHD-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.84
Rot. Bonds6

About 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide

2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide (PubChem CID 111330326) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide
PubChem CID111330326
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide
SMILESC/N=C(\NCCNC(=O)C(C)C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C20H28N4O/c1-14(2)19(25)22-12-13-23-20(21-4)24-15(3)17-11-7-9-16-8-5-6-10-18(16)17/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)(H2,21,23,24)
InChIKeyXLPLIFQROHRDHD-UHFFFAOYSA-N
XLogP2.84
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.84
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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Related Compounds

2-methyl-1-[2-(2-methylsulfonylethoxy)ethyl]-3-(1-naphthalen-1-ylethyl)guanidine
CID 111516261
2-methyl-1-[2-(2-methylsulfonylethoxy)ethyl]-3-(1-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 111516260
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-ethyl-2-[3-[[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111330328
2-methyl-N-[2-[[N'-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111324103
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
2-methyl-1-(naphthalen-1-ylmethyl)-3-propan-2-ylguanidine
CID 111125819
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide (CID 111330326) is 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide is C/N=C(\NCCNC(=O)C(C)C)NC(C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide?
The InChIKey is XLPLIFQROHRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)19(25)22-12-13-23-20(21-4)24-15(3)17-11-7-9-16-8-5-6-10-18(16)17/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)(H2,21,23,24).
What are the key properties of 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[N'-methyl-N-(1-naphthalen-1-ylethyl)carbamimidoyl]amino]ethyl]propanamide is sourced from PubChem (CID 111330326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).