N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride

C20H29ClN2O4 — CID 134111790

IUPACN-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
SMILESCCN(CC)CCCCNC(=O)Cc1cc(=O)oc2cc(OC)ccc12.Cl
InChIInChI=1S/C20H28N2O4.ClH/c1-4-22(5-2)11-7-6-10-21-19(23)12-15-13-20(24)26-18-14-16(25-3)8-9-17(15)18;/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,21,23);1H
InChIKeyASMKLKMXMRFKJG-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.00
Rot. Bonds10

About N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride

N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride (PubChem CID 134111790) has the molecular formula C20H29ClN2O4 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
PubChem CID134111790
Molecular FormulaC20H29ClN2O4
Molecular Weight396.92 g/mol
Exact Mass396.18
IUPAC NameN-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
SMILESCCN(CC)CCCCNC(=O)Cc1cc(=O)oc2cc(OC)ccc12.Cl
InChIInChI=1S/C20H28N2O4.ClH/c1-4-22(5-2)11-7-6-10-21-19(23)12-15-13-20(24)26-18-14-16(25-3)8-9-17(15)18;/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,21,23);1H
InChIKeyASMKLKMXMRFKJG-UHFFFAOYSA-N
XLogP3.00
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
5-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]pentylcarbamic acid
CID 87148125
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 8692632
N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride (CID 134111790) is N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride is CCN(CC)CCCCNC(=O)Cc1cc(=O)oc2cc(OC)ccc12.Cl.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride?
The InChIKey is ASMKLKMXMRFKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4.ClH/c1-4-22(5-2)11-7-6-10-21-19(23)12-15-13-20(24)26-18-14-16(25-3)8-9-17(15)18;/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride?
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 134111790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).