(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate

C24H32N2O4 — CID 139785163

IUPAC(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate
SMILESCOc1ccc2c(O/C(=N/C3CCCCC3)N(C)C3CCCCC3)cc(=O)oc2c1
InChIInChI=1S/C24H32N2O4/c1-26(18-11-7-4-8-12-18)24(25-17-9-5-3-6-10-17)30-22-16-23(27)29-21-15-19(28-2)13-14-20(21)22/h13-18H,3-12H2,1-2H3/b25-24+
InChIKeyQSROBNZTNLMVOQ-OCOZRVBESA-N
MW412.53 g/mol
LogP5.13
Rot. Bonds4

About (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate

(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate (PubChem CID 139785163) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate
PubChem CID139785163
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate
SMILESCOc1ccc2c(O/C(=N/C3CCCCC3)N(C)C3CCCCC3)cc(=O)oc2c1
InChIInChI=1S/C24H32N2O4/c1-26(18-11-7-4-8-12-18)24(25-17-9-5-3-6-10-17)30-22-16-23(27)29-21-15-19(28-2)13-14-20(21)22/h13-18H,3-12H2,1-2H3/b25-24+
InChIKeyQSROBNZTNLMVOQ-OCOZRVBESA-N
XLogP5.13
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-(Benzyloxy)-4-[2-(dimethylamino)ethyl]-2H-chromen-2-one
CID 44542043
7-methoxy-4-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methyl]-2H-chromen-2-one
CID 2461259
7-(Benzyloxy)-4-[(dimethylamino)methyl]-2H-chromen-2-one
CID 44541753
7-[10-(Dimethylamino)decoxy]chromen-2-one
CID 11210151
7-[6-[Allyl(methyl)amino]hexoxy]chromen-2-one
CID 11324513
7-[10-[Allyl(methyl)amino]decoxy]chromen-2-one
CID 11360755
7-[8-(Dimethylamino)octoxy]chromen-2-one
CID 11438512
N,N,N-tributyl-6-(4-methyl-2-oxo-2h-chromen-7-yloxy)hexan-1-aminium bromide
CID 129713155
N,N,N-triethyl-10-(4-methyl-2-oxo-2h-chromen-7-yloxy)decan-1-aminium bromide
CID 129713175
N,N,N-triethyl-6-(4-methyl-2-oxo-2h-chromen-7-yloxy)hexan-1-aminium bromide
CID 129713189
7-[2-(2-Methylpiperidin-1-yl)ethoxy]chromen-2-one
CID 53304516
4-Methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
CID 53304517

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate (CID 139785163) is (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate is COc1ccc2c(O/C(=N/C3CCCCC3)N(C)C3CCCCC3)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate?
The InChIKey is QSROBNZTNLMVOQ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H32N2O4/c1-26(18-11-7-4-8-12-18)24(25-17-9-5-3-6-10-17)30-22-16-23(27)29-21-15-19(28-2)13-14-20(21)22/h13-18H,3-12H2,1-2H3/b25-24+.
What are the key properties of (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate?
(7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate has a molecular weight of 412.53 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl) N,N'-dicyclohexyl-N-methylcarbamimidate is sourced from PubChem (CID 139785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).