propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate

C27H32N4O4 — CID 70859385

IUPACpropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33)
InChIKeyYFDVHPLBDSYMIK-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.73
Rot. Bonds6

About propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate (PubChem CID 70859385) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
PubChem CID70859385
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Namepropan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33)
InChIKeyYFDVHPLBDSYMIK-UHFFFAOYSA-N
XLogP4.73
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate (CID 70859385) is propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(C(=O)N4CCOCC4)cc3n2CC2CC2)cc1.
What is the InChIKey of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
The InChIKey is YFDVHPLBDSYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)35-27(33)29-21-8-5-19(6-9-21)25-24(28)22-10-7-20(26(32)30-11-13-34-14-12-30)15-23(22)31(25)16-18-3-4-18/h5-10,15,17-18H,3-4,11-14,16,28H2,1-2H3,(H,29,33).
What are the key properties of propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate has a molecular weight of 476.58 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-amino-1-(cyclopropylmethyl)-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70859385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).