(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide

C22H30N4O5 — CID 89378065

IUPAC(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(C)C(=O)CNC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C22H30N4O5/c1-13(2)8-17(22(23)30)26(5)20(28)12-24-19(27)9-14-10-21(29)31-18-11-15(25(3)4)6-7-16(14)18/h6-7,10-11,13,17H,8-9,12H2,1-5H3,(H2,23,30)(H,24,27)/t17-/m1/s1
InChIKeyQOHJKVCLENZWOQ-QGZVFWFLSA-N
MW430.51 g/mol
LogP0.88
Rot. Bonds9

About (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide

(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide (PubChem CID 89378065) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide
PubChem CID89378065
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(C)C(=O)CNC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12
InChIInChI=1S/C22H30N4O5/c1-13(2)8-17(22(23)30)26(5)20(28)12-24-19(27)9-14-10-21(29)31-18-11-15(25(3)4)6-7-16(14)18/h6-7,10-11,13,17H,8-9,12H2,1-5H3,(H2,23,30)(H,24,27)/t17-/m1/s1
InChIKeyQOHJKVCLENZWOQ-QGZVFWFLSA-N
XLogP0.88
TPSA125.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide with MolForge

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Related Compounds

7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
CID 88684463
2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
CID 2762622
7-(dimethylamino)-4-(2-oxopropyl)chromen-2-one;2-iodopropane
CID 160633927
N-[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]ethyl]-3-phenylpropanamide
CID 71665698
prop-2-ynyl 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate
CID 87406865
methyl 4-[7-(dimethylamino)-2-oxochromen-4-yl]butanoate
CID 15290788
potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
CID 155716771
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
7-(dimethylamino)-2-oxochromene-4-carboxylic acid
CID 46190449
N-[6-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]hexyl]-3-(3,10,14,21-tetraoxo-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4(9),5,7,15,17,19-octaen-6-yl)propanamide
CID 132596087
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
CID 59445812

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide (CID 89378065) is (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(C)C(=O)CNC(=O)Cc1cc(=O)oc2cc(N(C)C)ccc12.
What is the InChIKey of (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide?
The InChIKey is QOHJKVCLENZWOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-13(2)8-17(22(23)30)26(5)20(28)12-24-19(27)9-14-10-21(29)31-18-11-15(25(3)4)6-7-16(14)18/h6-7,10-11,13,17H,8-9,12H2,1-5H3,(H2,23,30)(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide?
(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide has a molecular weight of 430.51 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide is sourced from PubChem (CID 89378065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).