N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide

C15H23NO3 — CID 54916378

IUPACN-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1ccc(C(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)16(9-4-10-17)15(18)14-7-5-13(6-8-14)11-19-3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyGMOXVWKTFUTFOQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.07
Rot. Bonds7

About N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide

N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide (PubChem CID 54916378) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
PubChem CID54916378
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1ccc(C(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-12(2)16(9-4-10-17)15(18)14-7-5-13(6-8-14)11-19-3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyGMOXVWKTFUTFOQ-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
CID 134006113
N-(3-hydroxypropyl)-4-methoxy-3-nitro-N-propan-2-ylbenzamide
CID 61039539
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide (CID 54916378) is N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide is COCc1ccc(C(=O)N(CCCO)C(C)C)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide?
The InChIKey is GMOXVWKTFUTFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)16(9-4-10-17)15(18)14-7-5-13(6-8-14)11-19-3/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide?
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 54916378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).