N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

C24H29N3O4 — CID 51873542

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCOc1ccc([C@H](C)NC(=O)CCCn2cnc3ccccc3c2=O)cc1OCC
InChIInChI=1S/C24H29N3O4/c1-4-30-21-13-12-18(15-22(21)31-5-2)17(3)26-23(28)11-8-14-27-16-25-20-10-7-6-9-19(20)24(27)29/h6-7,9-10,12-13,15-17H,4-5,8,11,14H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyYEJCUXYYQQCMMT-KRWDZBQOSA-N
MW423.51 g/mol
LogP3.85
Rot. Bonds10

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 51873542) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID51873542
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCOc1ccc([C@H](C)NC(=O)CCCn2cnc3ccccc3c2=O)cc1OCC
InChIInChI=1S/C24H29N3O4/c1-4-30-21-13-12-18(15-22(21)31-5-2)17(3)26-23(28)11-8-14-27-16-25-20-10-7-6-9-19(20)24(27)29/h6-7,9-10,12-13,15-17H,4-5,8,11,14H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyYEJCUXYYQQCMMT-KRWDZBQOSA-N
XLogP3.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 91790449
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47042855
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 51873542) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is CCOc1ccc([C@H](C)NC(=O)CCCn2cnc3ccccc3c2=O)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is YEJCUXYYQQCMMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-30-21-13-12-18(15-22(21)31-5-2)17(3)26-23(28)11-8-14-27-16-25-20-10-7-6-9-19(20)24(27)29/h6-7,9-10,12-13,15-17H,4-5,8,11,14H2,1-3H3,(H,26,28)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 423.51 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 51873542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).