(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

C21H27N3O7 — CID 6723132

IUPAC(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NCCN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C21H27N3O7/c1-29-15-2-3-16-14(11-20(27)31-18(16)12-15)10-19(26)23-17(13-25)21(28)22-4-5-24-6-8-30-9-7-24/h2-3,11-12,17,25H,4-10,13H2,1H3,(H,22,28)(H,23,26)/t17-/m0/s1
InChIKeyLTMQFZARWQIWPL-KRWDZBQOSA-N
MW433.46 g/mol
LogP-0.73
Rot. Bonds9

About (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 6723132) has the molecular formula C21H27N3O7 and a molecular weight of 433.46 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID6723132
Molecular FormulaC21H27N3O7
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC Name(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NCCN3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C21H27N3O7/c1-29-15-2-3-16-14(11-20(27)31-18(16)12-15)10-19(26)23-17(13-25)21(28)22-4-5-24-6-8-30-9-7-24/h2-3,11-12,17,25H,4-10,13H2,1H3,(H,22,28)(H,23,26)/t17-/m0/s1
InChIKeyLTMQFZARWQIWPL-KRWDZBQOSA-N
XLogP-0.73
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 6723110
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
CID 3379087
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
N-[4-[(7-methoxy-2-oxochromen-4-yl)amino]phenyl]-2-morpholin-4-ylacetamide
CID 155546029
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 6724423

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 6723132) is (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NCCN3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is LTMQFZARWQIWPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O7/c1-29-15-2-3-16-14(11-20(27)31-18(16)12-15)10-19(26)23-17(13-25)21(28)22-4-5-24-6-8-30-9-7-24/h2-3,11-12,17,25H,4-10,13H2,1H3,(H,22,28)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 433.46 g/mol, XLogP of -0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 6723132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).