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

C15H31N3O — CID 23140421

IUPAC3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide
SMILESCCCNC(=O)N1CC(N(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-6-7-16-15(19)18-10-14(11-18)17(8-12(2)3)9-13(4)5/h12-14H,6-11H2,1-5H3,(H,16,19)
InChIKeyREIATKQANUSUSM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.40
Rot. Bonds7

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

3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide (PubChem CID 23140421) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide
PubChem CID23140421
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide
SMILESCCCNC(=O)N1CC(N(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H31N3O/c1-6-7-16-15(19)18-10-14(11-18)17(8-12(2)3)9-13(4)5/h12-14H,6-11H2,1-5H3,(H,16,19)
InChIKeyREIATKQANUSUSM-UHFFFAOYSA-N
XLogP2.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methylazetidine-1-carboxamide
CID 81908858
3-amino-N,N-dimethylazetidine-1-carboxamide
CID 79154312
3-amino-N-methylazetidine-1-carboxamide hydrochloride
CID 137966080
3-Butan-2-yl-1,1-bis[2-(dimethylamino)ethyl]urea
CID 53621554
1-[2-[Butan-2-yl(methyl)amino]ethyl]-3-cyclopropylurea
CID 71934037
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
1-[2-(3,3-Dimethylazetidin-1-yl)ethyl]imidazolidin-2-one
CID 54097904
3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
CID 90680029
1-(Azetidin-3-yl)-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 116013352
3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
CID 130683825
3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide
CID 130918209
N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide
CID 154742284

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide (CID 23140421) is 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide is CCCNC(=O)N1CC(N(CC(C)C)CC(C)C)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide?
The InChIKey is REIATKQANUSUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-7-16-15(19)18-10-14(11-18)17(8-12(2)3)9-13(4)5/h12-14H,6-11H2,1-5H3,(H,16,19).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-propylazetidine-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 2.40, 7 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-propylazetidine-1-carboxamide is sourced from PubChem (CID 23140421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).