1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide

C32H41N5O4 — CID 10209751

IUPAC1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21
InChIInChI=1S/C32H41N5O4/c1-36-27-13-6-5-12-25(27)23-28(36)30(39)35-32(14-7-8-15-32)31(40)34-26(22-24-10-3-2-4-11-24)29(38)33-16-9-17-37-18-20-41-21-19-37/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1
InChIKeyYWQRQHFLRRIYLO-AREMUKBSSA-N
MW559.71 g/mol
LogP2.79
Rot. Bonds11

About 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide

1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide (PubChem CID 10209751) has the molecular formula C32H41N5O4 and a molecular weight of 559.71 g/mol. Its IUPAC name is 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
PubChem CID10209751
Molecular FormulaC32H41N5O4
Molecular Weight559.71 g/mol
Exact Mass559.32
IUPAC Name1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21
InChIInChI=1S/C32H41N5O4/c1-36-27-13-6-5-12-25(27)23-28(36)30(39)35-32(14-7-8-15-32)31(40)34-26(22-24-10-3-2-4-11-24)29(38)33-16-9-17-37-18-20-41-21-19-37/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1
InChIKeyYWQRQHFLRRIYLO-AREMUKBSSA-N
XLogP2.79
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide (CID 10209751) is 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide is Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The InChIKey is YWQRQHFLRRIYLO-AREMUKBSSA-N. The full InChI is InChI=1S/C32H41N5O4/c1-36-27-13-6-5-12-25(27)23-28(36)30(39)35-32(14-7-8-15-32)31(40)34-26(22-24-10-3-2-4-11-24)29(38)33-16-9-17-37-18-20-41-21-19-37/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1.
What are the key properties of 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide has a molecular weight of 559.71 g/mol, XLogP of 2.79, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide is sourced from PubChem (CID 10209751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).