3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide

C17H27N3O2 — CID 124617563

IUPAC3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide
SMILESCc1ccc(N[C@@H]2CCO[C@@H]2C)cc1NC(=O)CCN(C)C
InChIInChI=1S/C17H27N3O2/c1-12-5-6-14(18-15-8-10-22-13(15)2)11-16(12)19-17(21)7-9-20(3)4/h5-6,11,13,15,18H,7-10H2,1-4H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyANGPFFGQJVEKAC-UKRRQHHQSA-N
MW305.42 g/mol
LogP2.47
Rot. Bonds6

About 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide

3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide (PubChem CID 124617563) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide
PubChem CID124617563
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide
SMILESCc1ccc(N[C@@H]2CCO[C@@H]2C)cc1NC(=O)CCN(C)C
InChIInChI=1S/C17H27N3O2/c1-12-5-6-14(18-15-8-10-22-13(15)2)11-16(12)19-17(21)7-9-20(3)4/h5-6,11,13,15,18H,7-10H2,1-4H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyANGPFFGQJVEKAC-UKRRQHHQSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
4-methyl-3-[(2-methyloxolan-3-yl)amino]benzoic acid
CID 82727307
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
(2S,3R)-N-(3-bromo-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358653
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide
CID 97072287
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727389
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727685
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide (CID 124617563) is 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide is Cc1ccc(N[C@@H]2CCO[C@@H]2C)cc1NC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide?
The InChIKey is ANGPFFGQJVEKAC-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-5-6-14(18-15-8-10-22-13(15)2)11-16(12)19-17(21)7-9-20(3)4/h5-6,11,13,15,18H,7-10H2,1-4H3,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide?
3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide is sourced from PubChem (CID 124617563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).