N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide

C30H39N5O5 — CID 156883670

IUPACN-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@]1(CC(C)C)CC1NC(=O)c1cc3ccccc3[nH]1)C(=O)N2
InChIInChI=1S/C30H39N5O5/c1-18(2)14-30(16-25(30)33-27(39)24-13-20-6-4-5-7-23(20)32-24)28(40)31-22(17-36)12-21-15-29(34-26(21)38)8-10-35(11-9-29)19(3)37/h4-7,13,17-18,21-22,25,32H,8-12,14-16H2,1-3H3,(H,31,40)(H,33,39)(H,34,38)/t21?,22?,25?,30-/m1/s1
InChIKeyMSRZSGJTROTNJF-ZFHLRRFLSA-N
MW549.67 g/mol
LogP2.29
Rot. Bonds9

About N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide

N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 156883670) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID156883670
Molecular FormulaC30H39N5O5
Molecular Weight549.67 g/mol
Exact Mass549.30
IUPAC NameN-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@]1(CC(C)C)CC1NC(=O)c1cc3ccccc3[nH]1)C(=O)N2
InChIInChI=1S/C30H39N5O5/c1-18(2)14-30(16-25(30)33-27(39)24-13-20-6-4-5-7-23(20)32-24)28(40)31-22(17-36)12-21-15-29(34-26(21)38)8-10-35(11-9-29)19(3)37/h4-7,13,17-18,21-22,25,32H,8-12,14-16H2,1-3H3,(H,31,40)(H,33,39)(H,34,38)/t21?,22?,25?,30-/m1/s1
InChIKeyMSRZSGJTROTNJF-ZFHLRRFLSA-N
XLogP2.29
TPSA140.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.67
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide (CID 156883670) is N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide is CC(=O)N1CCC2(CC1)CC(CC(C=O)NC(=O)[C@]1(CC(C)C)CC1NC(=O)c1cc3ccccc3[nH]1)C(=O)N2.
What is the InChIKey of N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is MSRZSGJTROTNJF-ZFHLRRFLSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-18(2)14-30(16-25(30)33-27(39)24-13-20-6-4-5-7-23(20)32-24)28(40)31-22(17-36)12-21-15-29(34-26(21)38)8-10-35(11-9-29)19(3)37/h4-7,13,17-18,21-22,25,32H,8-12,14-16H2,1-3H3,(H,31,40)(H,33,39)(H,34,38)/t21?,22?,25?,30-/m1/s1.
What are the key properties of N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide?
N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 549.67 g/mol, XLogP of 2.29, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-3-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 156883670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).