methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate

C32H30N2O4 — CID 102328667

IUPACmethyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate
SMILESCOC(=O)Nc1cc2cc(c1)Cc1cccc(c1)Cc1cc(cc(NC(=O)OC)c1)Cc1cccc(c1)C2
InChIInChI=1S/C32H30N2O4/c1-37-31(35)33-29-17-25-11-21-5-3-7-23(9-21)13-27-16-28(20-30(19-27)34-32(36)38-2)14-24-8-4-6-22(10-24)12-26(15-25)18-29/h3-10,15-20H,11-14H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyPLAIGWAFFVEESA-UHFFFAOYSA-N
MW506.60 g/mol
LogP6.72
Rot. Bonds2

About methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate

methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate (PubChem CID 102328667) has the molecular formula C32H30N2O4 and a molecular weight of 506.60 g/mol. Its IUPAC name is methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate
PubChem CID102328667
Molecular FormulaC32H30N2O4
Molecular Weight506.60 g/mol
Exact Mass506.22
IUPAC Namemethyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate
SMILESCOC(=O)Nc1cc2cc(c1)Cc1cccc(c1)Cc1cc(cc(NC(=O)OC)c1)Cc1cccc(c1)C2
InChIInChI=1S/C32H30N2O4/c1-37-31(35)33-29-17-25-11-21-5-3-7-23(9-21)13-27-16-28(20-30(19-27)34-32(36)38-2)14-24-8-4-6-22(10-24)12-26(15-25)18-29/h3-10,15-20H,11-14H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyPLAIGWAFFVEESA-UHFFFAOYSA-N
XLogP6.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate with MolForge

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Related Compounds

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CID 68594224
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methyl N-[3-(2-aminooxyethyl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate?
The IUPAC name of methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate (CID 102328667) is methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate.
What is the SMILES notation for methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate?
The canonical SMILES for methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate is COC(=O)Nc1cc2cc(c1)Cc1cccc(c1)Cc1cc(cc(NC(=O)OC)c1)Cc1cccc(c1)C2.
What is the InChIKey of methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate?
The InChIKey is PLAIGWAFFVEESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4/c1-37-31(35)33-29-17-25-11-21-5-3-7-23(9-21)13-27-16-28(20-30(19-27)34-32(36)38-2)14-24-8-4-6-22(10-24)12-26(15-25)18-29/h3-10,15-20H,11-14H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate?
methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate has a molecular weight of 506.60 g/mol, XLogP of 6.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[17-(methoxycarbonylamino)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]carbamate is sourced from PubChem (CID 102328667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).