3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide

C19H31N3O — CID 23139973

IUPAC3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)c1
InChIInChI=1S/C19H31N3O/c1-14(2)10-21(11-15(3)4)18-12-22(13-18)19(23)20-17-8-6-7-16(5)9-17/h6-9,14-15,18H,10-13H2,1-5H3,(H,20,23)
InChIKeyKLZXJEOOQOEQAS-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.83
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide

3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide (PubChem CID 23139973) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
PubChem CID23139973
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)c1
InChIInChI=1S/C19H31N3O/c1-14(2)10-21(11-15(3)4)18-12-22(13-18)19(23)20-17-8-6-7-16(5)9-17/h6-9,14-15,18H,10-13H2,1-5H3,(H,20,23)
InChIKeyKLZXJEOOQOEQAS-UHFFFAOYSA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[bis(2-methylpropyl)amino]azetidine-1-carbonyl]amino]benzoic acid
CID 69056634
3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140227
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
methyl 3-[[3-(dipropylamino)azetidine-1-carbonyl]amino]benzoate
CID 23140433
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140293

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide (CID 23139973) is 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide is Cc1cccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)c1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide?
The InChIKey is KLZXJEOOQOEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14(2)10-21(11-15(3)4)18-12-22(13-18)19(23)20-17-8-6-7-16(5)9-17/h6-9,14-15,18H,10-13H2,1-5H3,(H,20,23).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23139973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).