N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide

C20H33N3O2 — CID 97160110

IUPACN,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(N(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H33N3O2/c1-15-6-9-17(10-7-15)23(14-18-5-4-12-25-18)13-16-8-11-19(21-16)20(24)22(2)3/h8,11,15,17-18,21H,4-7,9-10,12-14H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyJPNXGZINKGWZIM-VJFUWPCTSA-N
MW347.50 g/mol
LogP3.28
Rot. Bonds6

About N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide

N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 97160110) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
PubChem CID97160110
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(N(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H33N3O2/c1-15-6-9-17(10-7-15)23(14-18-5-4-12-25-18)13-16-8-11-19(21-16)20(24)22(2)3/h8,11,15,17-18,21H,4-7,9-10,12-14H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyJPNXGZINKGWZIM-VJFUWPCTSA-N
XLogP3.28
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide
CID 97160111
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126785570
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126771558
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-methyl-N-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126774140
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 94185139
2-[2-[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)amino]ethoxy]ethanol
CID 111488883
4-bromo-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61244501
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119805648

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide (CID 97160110) is N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide is CC1CCC(N(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1.
What is the InChIKey of N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JPNXGZINKGWZIM-VJFUWPCTSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15-6-9-17(10-7-15)23(14-18-5-4-12-25-18)13-16-8-11-19(21-16)20(24)22(2)3/h8,11,15,17-18,21H,4-7,9-10,12-14H2,1-3H3/t15?,17?,18-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide?
N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97160110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).