3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide

C18H30N2O4 — CID 102200968

IUPAC3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
SMILESCc1cccc(C)c1OC[C@@H](C)NC(=O)CCN(CCO)CCO
InChIInChI=1S/C18H30N2O4/c1-14-5-4-6-15(2)18(14)24-13-16(3)19-17(23)7-8-20(9-11-21)10-12-22/h4-6,16,21-22H,7-13H2,1-3H3,(H,19,23)/t16-/m1/s1
InChIKeyQYYXQPRJGSWQGG-MRXNPFEDSA-N
MW338.45 g/mol
LogP0.86
Rot. Bonds11

About 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide

3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide (PubChem CID 102200968) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
PubChem CID102200968
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
SMILESCc1cccc(C)c1OC[C@@H](C)NC(=O)CCN(CCO)CCO
InChIInChI=1S/C18H30N2O4/c1-14-5-4-6-15(2)18(14)24-13-16(3)19-17(23)7-8-20(9-11-21)10-12-22/h4-6,16,21-22H,7-13H2,1-3H3,(H,19,23)/t16-/m1/s1
InChIKeyQYYXQPRJGSWQGG-MRXNPFEDSA-N
XLogP0.86
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 57406196
[2-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3867912
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide (CID 102200968) is 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide is Cc1cccc(C)c1OC[C@@H](C)NC(=O)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide?
The InChIKey is QYYXQPRJGSWQGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-14-5-4-6-15(2)18(14)24-13-16(3)19-17(23)7-8-20(9-11-21)10-12-22/h4-6,16,21-22H,7-13H2,1-3H3,(H,19,23)/t16-/m1/s1.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide?
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 0.86, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 102200968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).