N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide

C25H29N3O3 — CID 59494835

IUPACN-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOc1cccc(Cn2cc(CN(C(=O)C3CNCCO3)C3CC3)c3ccccc32)c1
InChIInChI=1S/C25H29N3O3/c1-30-21-6-4-5-18(13-21)15-27-16-19(22-7-2-3-8-23(22)27)17-28(20-9-10-20)25(29)24-14-26-11-12-31-24/h2-8,13,16,20,24,26H,9-12,14-15,17H2,1H3
InChIKeyNLOCRBMQEFXOBB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.18
Rot. Bonds7

About N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide

N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494835) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
PubChem CID59494835
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOc1cccc(Cn2cc(CN(C(=O)C3CNCCO3)C3CC3)c3ccccc32)c1
InChIInChI=1S/C25H29N3O3/c1-30-21-6-4-5-18(13-21)15-27-16-19(22-7-2-3-8-23(22)27)17-28(20-9-10-20)25(29)24-14-26-11-12-31-24/h2-8,13,16,20,24,26H,9-12,14-15,17H2,1H3
InChIKeyNLOCRBMQEFXOBB-UHFFFAOYSA-N
XLogP3.18
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[1-(2-methoxyphenyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494035
N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 70905472
(3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen
CID 143335315
2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide
CID 126583414
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170861
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide (CID 59494835) is N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide is COc1cccc(Cn2cc(CN(C(=O)C3CNCCO3)C3CC3)c3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is NLOCRBMQEFXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-30-21-6-4-5-18(13-21)15-27-16-19(22-7-2-3-8-23(22)27)17-28(20-9-10-20)25(29)24-14-26-11-12-31-24/h2-8,13,16,20,24,26H,9-12,14-15,17H2,1H3.
What are the key properties of N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide?
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).