(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide

C19H26N4O2 — CID 120801426

IUPAC(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)O1
InChIInChI=1S/C19H26N4O2/c20-13-16-8-9-17(25-16)19(24)22-14-18-21-10-12-23(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,16-17H,4,7-9,11,13-14,20H2,(H,22,24)/t16-,17+/m1/s1
InChIKeyCMXTUZXOTYGJPT-SJORKVTESA-N
MW342.44 g/mol
LogP1.64
Rot. Bonds8

About (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 120801426) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID120801426
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)O1
InChIInChI=1S/C19H26N4O2/c20-13-16-8-9-17(25-16)19(24)22-14-18-21-10-12-23(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,16-17H,4,7-9,11,13-14,20H2,(H,22,24)/t16-,17+/m1/s1
InChIKeyCMXTUZXOTYGJPT-SJORKVTESA-N
XLogP1.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120797812
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
(2S,5R)-5-(aminomethyl)-N-[3-(benzylamino)-3-oxopropyl]oxolane-2-carboxamide;hydrochloride
CID 120790955

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide (CID 120801426) is (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is CMXTUZXOTYGJPT-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-16-8-9-17(25-16)19(24)22-14-18-21-10-12-23(18)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,12,16-17H,4,7-9,11,13-14,20H2,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120801426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).