2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate

C26H44N4O4 — CID 176962972

IUPAC2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate
SMILESCOC(=O)C(CCN(CCCCC1CCc2cccnc2N1)C1CC1)NC=O.COC(C)(C)C
InChIInChI=1S/C21H32N4O3.C5H12O/c1-28-21(27)19(23-15-26)11-14-25(18-9-10-18)13-3-2-6-17-8-7-16-5-4-12-22-20(16)24-17;1-5(2,3)6-4/h4-5,12,15,17-19H,2-3,6-11,13-14H2,1H3,(H,22,24)(H,23,26);1-4H3
InChIKeyFSQIDPDVDQZSRT-UHFFFAOYSA-N
MW476.66 g/mol
LogP3.55
Rot. Bonds12

About 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate

2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate (PubChem CID 176962972) has the molecular formula C26H44N4O4 and a molecular weight of 476.66 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate
PubChem CID176962972
Molecular FormulaC26H44N4O4
Molecular Weight476.66 g/mol
Exact Mass476.34
IUPAC Name2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate
SMILESCOC(=O)C(CCN(CCCCC1CCc2cccnc2N1)C1CC1)NC=O.COC(C)(C)C
InChIInChI=1S/C21H32N4O3.C5H12O/c1-28-21(27)19(23-15-26)11-14-25(18-9-10-18)13-3-2-6-17-8-7-16-5-4-12-22-20(16)24-17;1-5(2,3)6-4/h4-5,12,15,17-19H,2-3,6-11,13-14H2,1H3,(H,22,24)(H,23,26);1-4H3
InChIKeyFSQIDPDVDQZSRT-UHFFFAOYSA-N
XLogP3.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate?
The IUPAC name of 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate (CID 176962972) is 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate.
What is the SMILES notation for 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate?
The canonical SMILES for 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate is COC(=O)C(CCN(CCCCC1CCc2cccnc2N1)C1CC1)NC=O.COC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate?
The InChIKey is FSQIDPDVDQZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.C5H12O/c1-28-21(27)19(23-15-26)11-14-25(18-9-10-18)13-3-2-6-17-8-7-16-5-4-12-22-20(16)24-17;1-5(2,3)6-4/h4-5,12,15,17-19H,2-3,6-11,13-14H2,1H3,(H,22,24)(H,23,26);1-4H3.
What are the key properties of 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate?
2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate has a molecular weight of 476.66 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;methyl 4-[cyclopropyl-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoate is sourced from PubChem (CID 176962972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).