N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide

C16H22N2O3 — CID 146094357

IUPACN-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(CO)COCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-15(20)17-11-16(12-19)13-21-9-8-18(16)10-14-6-4-3-5-7-14/h2-7,19H,1,8-13H2,(H,17,20)
InChIKeyRMMQTAUHSMZWOU-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.55
Rot. Bonds6

About N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide

N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide (PubChem CID 146094357) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide
PubChem CID146094357
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(CO)COCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-15(20)17-11-16(12-19)13-21-9-8-18(16)10-14-6-4-3-5-7-14/h2-7,19H,1,8-13H2,(H,17,20)
InChIKeyRMMQTAUHSMZWOU-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dibenzylmorpholine-3-carboxamide
CID 143803891
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
N-[(4-benzylsulfonylmorpholin-3-yl)methyl]prop-2-enamide
CID 172889650
N-[(dibenzylamino)methyl]prop-2-enamide
CID 68581396
1-benzyl-3-morpholin-4-ylurea
CID 107653208
N-[2-[1-(3-phenyloxolane-3-carbonyl)piperidin-4-yl]ethyl]prop-2-enamide
CID 154875206
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
N-[4-[3-ethenyl-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166419511
N-[[4-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166404584
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
CID 70380943
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051

Frequently Asked Questions

What is the IUPAC name of N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide (CID 146094357) is N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide is C=CC(=O)NCC1(CO)COCCN1Cc1ccccc1.
What is the InChIKey of N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide?
The InChIKey is RMMQTAUHSMZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-15(20)17-11-16(12-19)13-21-9-8-18(16)10-14-6-4-3-5-7-14/h2-7,19H,1,8-13H2,(H,17,20).
What are the key properties of N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide?
N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-benzyl-3-(hydroxymethyl)morpholin-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 146094357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).