(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate

C25H27NO6 — CID 3745168

IUPAC(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)C(CCC)NC(=O)OCc3ccccc3)ccc12
InChIInChI=1S/C25H27NO6/c1-3-8-18-14-23(27)32-22-15-19(12-13-20(18)22)31-24(28)21(9-4-2)26-25(29)30-16-17-10-6-5-7-11-17/h5-7,10-15,21H,3-4,8-9,16H2,1-2H3,(H,26,29)
InChIKeyNWCRLYNIIHXQJX-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.75
Rot. Bonds9

About (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate

(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 3745168) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID3745168
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)C(CCC)NC(=O)OCc3ccccc3)ccc12
InChIInChI=1S/C25H27NO6/c1-3-8-18-14-23(27)32-22-15-19(12-13-20(18)22)31-24(28)21(9-4-2)26-25(29)30-16-17-10-6-5-7-11-17/h5-7,10-15,21H,3-4,8-9,16H2,1-2H3,(H,26,29)
InChIKeyNWCRLYNIIHXQJX-UHFFFAOYSA-N
XLogP4.75
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
CID 3722979
[2-oxo-4-(trifluoromethyl)chromen-7-yl] (2S)-2-(phenylmethoxycarbonylamino)pentanoate
CID 2295438
(6-oxobenzo[c]chromen-3-yl) 2-(phenylmethoxycarbonylamino)pentanoate
CID 2921184
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)hexanoate
CID 4318244
(2-oxo-4-propylchromen-7-yl) 3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4908796
(4-butyl-7-methyl-2-oxochromen-5-yl) (2R)-2-(phenylmethoxycarbonylamino)hexanoate
CID 40911242
benzyl carbamate;3-(7-methoxy-2-oxochromen-4-yl)propanoic acid
CID 143086252
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(3,4-dimethyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 3481991
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 5180770
(3,6-dichloro-4-methyl-2-oxochromen-7-yl) (2R)-2-(phenylmethoxycarbonylamino)pentanoate
CID 40829705

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate (CID 3745168) is (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate is CCCc1cc(=O)oc2cc(OC(=O)C(CCC)NC(=O)OCc3ccccc3)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is NWCRLYNIIHXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-3-8-18-14-23(27)32-22-15-19(12-13-20(18)22)31-24(28)21(9-4-2)26-25(29)30-16-17-10-6-5-7-11-17/h5-7,10-15,21H,3-4,8-9,16H2,1-2H3,(H,26,29).
What are the key properties of (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate?
(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 437.49 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 3745168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).