N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide

C35H44N4O7 — CID 137337372

About N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide

N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide (PubChem CID 137337372) has the molecular formula C35H44N4O7 and a molecular weight of 632.76 g/mol. Its IUPAC name is N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide
• PubChem CID: 137337372
• Molecular Formula: C35H44N4O7
• Molecular Weight: 632.76 g/mol
• Exact Mass: 632.32
• IUPAC Name: N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide
• SMILES: O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCC(=O)NC3CCCCCC3)C[C@@H]2Oc2ccc(cc2)CN1
• InChI: InChI=1S/C35H44N4O7/c40-32(37-26-5-3-1-2-4-6-26)13-14-34(42)39-19-30-31(20-39)46-27-11-9-23(10-12-27)18-36-33(41)22-45-29-16-25(35(43)38-30)15-28(17-29)44-21-24-7-8-24/h9-12,15-17,24,26,30-31H,1-8,13-14,18-22H2,(H,36,41)(H,37,40)(H,38,43)/t30-,31-/m0/s1
• InChIKey: SKRAJDWMWQPTMB-CONSDPRKSA-N
• XLogP: 3.49
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.76
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide?

The IUPAC name of N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide (CID 137337372) is N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide.

What is the SMILES notation for N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide?

The canonical SMILES for N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide is O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCC(=O)NC3CCCCCC3)C[C@@H]2Oc2ccc(cc2)CN1.

What is the InChIKey of N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide?

The InChIKey is SKRAJDWMWQPTMB-CONSDPRKSA-N. The full InChI is InChI=1S/C35H44N4O7/c40-32(37-26-5-3-1-2-4-6-26)13-14-34(42)39-19-30-31(20-39)46-27-11-9-23(10-12-27)18-36-33(41)22-45-29-16-25(35(43)38-30)15-28(17-29)44-21-24-7-8-24/h9-12,15-17,24,26,30-31H,1-8,13-14,18-22H2,(H,36,41)(H,37,40)(H,38,43)/t30-,31-/m0/s1.

What are the key properties of N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide?

N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide has a molecular weight of 632.76 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-4-[(3S,7S)-12-(cyclopropylmethoxy)-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-4-oxobutanamide is sourced from PubChem (CID 137337372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).