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

C20H32ClN3O2 — CID 7297073

IUPACpropyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
SMILESCCCO/C(=N\[C@H](C)CCCN(CC)CC)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H32ClN3O2/c1-5-15-26-20(22-16(4)11-10-14-24(6-2)7-3)23-19(25)17-12-8-9-13-18(17)21/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,22,23,25)/t16-/m1/s1
InChIKeyUVWXRZKAXOXHSX-MRXNPFEDSA-N
MW381.95 g/mol
LogP4.36
Rot. Bonds10

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

propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate (PubChem CID 7297073) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate.

Molecular Properties

Compound Namepropyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
PubChem CID7297073
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Namepropyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
SMILESCCCO/C(=N\[C@H](C)CCCN(CC)CC)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H32ClN3O2/c1-5-15-26-20(22-16(4)11-10-14-24(6-2)7-3)23-19(25)17-12-8-9-13-18(17)21/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,22,23,25)/t16-/m1/s1
InChIKeyUVWXRZKAXOXHSX-MRXNPFEDSA-N
XLogP4.36
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.36
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

methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
CID 4551704
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
CID 7249897
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7338343
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-chloro-N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]benzamide
CID 110999053
propan-2-yl N-(2-chlorobenzoyl)-N'-[2-(dimethylamino)ethyl]carbamimidate
CID 5165368
2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-chloro-N-[N'-[5-(diethylamino)pentan-2-yl]carbamimidoyl]benzamide
CID 59700993
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400

Frequently Asked Questions

What is the IUPAC name of propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate?
The IUPAC name of propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate (CID 7297073) is propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate.
What is the SMILES notation for propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate?
The canonical SMILES for propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate is CCCO/C(=N\[C@H](C)CCCN(CC)CC)NC(=O)c1ccccc1Cl.
What is the InChIKey of propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate?
The InChIKey is UVWXRZKAXOXHSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32ClN3O2/c1-5-15-26-20(22-16(4)11-10-14-24(6-2)7-3)23-19(25)17-12-8-9-13-18(17)21/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,22,23,25)/t16-/m1/s1.
What are the key properties of propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate?
propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate has a molecular weight of 381.95 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate is sourced from PubChem (CID 7297073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).