(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C19H29N3O — CID 122565526

IUPAC(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1cccc(CCCNC(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1
InChIInChI=1S/C19H29N3O/c1-14-6-4-7-15(10-14)8-5-9-20-19(23)22-12-17-16(11-21(2)3)18(17)13-22/h4,6-7,10,16-18H,5,8-9,11-13H2,1-3H3,(H,20,23)/t16?,17-,18+
InChIKeyLVGOZQYSDNYFSM-AYHJJNSGSA-N
MW315.46 g/mol
LogP2.38
Rot. Bonds6

About (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 122565526) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID122565526
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1cccc(CCCNC(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1
InChIInChI=1S/C19H29N3O/c1-14-6-4-7-15(10-14)8-5-9-20-19(23)22-12-17-16(11-21(2)3)18(17)13-22/h4,6-7,10,16-18H,5,8-9,11-13H2,1-3H3,(H,20,23)/t16?,17-,18+
InChIKeyLVGOZQYSDNYFSM-AYHJJNSGSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,4R,7R,7aS)-N-[3-(3-methoxyphenyl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 99107062
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
CID 119063968
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124851079
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
(4aR,8aS)-N-[3-(3-fluorophenyl)propyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 124726323
(2R)-6-methyl-N-[3-(3-methylphenyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94021238
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 122565526) is (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is Cc1cccc(CCCNC(=O)N2C[C@@H]3C(CN(C)C)[C@@H]3C2)c1.
What is the InChIKey of (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is LVGOZQYSDNYFSM-AYHJJNSGSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14-6-4-7-15(10-14)8-5-9-20-19(23)22-12-17-16(11-21(2)3)18(17)13-22/h4,6-7,10,16-18H,5,8-9,11-13H2,1-3H3,(H,20,23)/t16?,17-,18+.
What are the key properties of (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-[(dimethylamino)methyl]-N-[3-(3-methylphenyl)propyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 122565526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).