methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate

C18H28ClN3O2 — CID 4551704

IUPACmethyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
SMILESCCN(CC)CCCC(C)/N=C(/NC(=O)c1ccccc1Cl)OC
InChIInChI=1S/C18H28ClN3O2/c1-5-22(6-2)13-9-10-14(3)20-18(24-4)21-17(23)15-11-7-8-12-16(15)19/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,21,23)
InChIKeyNDLVHPAOZQOOAS-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.58
Rot. Bonds8

About methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate

methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate (PubChem CID 4551704) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate.

Molecular Properties

Compound Namemethyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
PubChem CID4551704
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Namemethyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
SMILESCCN(CC)CCCC(C)/N=C(/NC(=O)c1ccccc1Cl)OC
InChIInChI=1S/C18H28ClN3O2/c1-5-22(6-2)13-9-10-14(3)20-18(24-4)21-17(23)15-11-7-8-12-16(15)19/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,21,23)
InChIKeyNDLVHPAOZQOOAS-UHFFFAOYSA-N
XLogP3.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7297073
2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
CID 7249897
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7338343
2-chloro-N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]benzamide
CID 110999053
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
propan-2-yl N-(2-chlorobenzoyl)-N'-[2-(dimethylamino)ethyl]carbamimidate
CID 5165368
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7482491
2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-chloro-N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]benzamide
CID 59700993
2-chloro-N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]benzamide
CID 66137037
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate?
The IUPAC name of methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate (CID 4551704) is methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate.
What is the SMILES notation for methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate?
The canonical SMILES for methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate is CCN(CC)CCCC(C)/N=C(/NC(=O)c1ccccc1Cl)OC.
What is the InChIKey of methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate?
The InChIKey is NDLVHPAOZQOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-5-22(6-2)13-9-10-14(3)20-18(24-4)21-17(23)15-11-7-8-12-16(15)19/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,20,21,23).
What are the key properties of methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate?
methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate has a molecular weight of 353.89 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate is sourced from PubChem (CID 4551704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).