N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide

C17H30N2O3 — CID 129330348

IUPACN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)CC[C@H]2CCOC2)C1
InChIInChI=1S/C17H30N2O3/c1-18-7-9-22-16(11-18)12-19(10-14-2-3-14)17(20)5-4-15-6-8-21-13-15/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyANDNLWRDJDKFMB-JKSUJKDBSA-N
MW310.44 g/mol
LogP1.37
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide

N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide (PubChem CID 129330348) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide
PubChem CID129330348
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)CC[C@H]2CCOC2)C1
InChIInChI=1S/C17H30N2O3/c1-18-7-9-22-16(11-18)12-19(10-14-2-3-14)17(20)5-4-15-6-8-21-13-15/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyANDNLWRDJDKFMB-JKSUJKDBSA-N
XLogP1.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide (CID 129330348) is N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide is CN1CCO[C@@H](CN(CC2CC2)C(=O)CC[C@H]2CCOC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide?
The InChIKey is ANDNLWRDJDKFMB-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-18-7-9-22-16(11-18)12-19(10-14-2-3-14)17(20)5-4-15-6-8-21-13-15/h14-16H,2-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide?
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide has a molecular weight of 310.44 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide is sourced from PubChem (CID 129330348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).