(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide

C15H26N4O2 — CID 95904933

IUPAC(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)Cn1ccnc1
InChIInChI=1S/C15H26N4O2/c1-12(2)8-14-10-21-7-6-19(14)15(20)17-13(3)9-18-5-4-16-11-18/h4-5,11-14H,6-10H2,1-3H3,(H,17,20)/t13-,14-/m1/s1
InChIKeyUDLNYCFUTXWKFX-ZIAGYGMSSA-N
MW294.40 g/mol
LogP1.73
Rot. Bonds5

About (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide

(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 95904933) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID95904933
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)Cn1ccnc1
InChIInChI=1S/C15H26N4O2/c1-12(2)8-14-10-21-7-6-19(14)15(20)17-13(3)9-18-5-4-16-11-18/h4-5,11-14H,6-10H2,1-3H3,(H,17,20)/t13-,14-/m1/s1
InChIKeyUDLNYCFUTXWKFX-ZIAGYGMSSA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
CID 47229107
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 97087354
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 95765376
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
CID 129429318

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 95904933) is (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide is CC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)Cn1ccnc1.
What is the InChIKey of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is UDLNYCFUTXWKFX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)8-14-10-21-7-6-19(14)15(20)17-13(3)9-18-5-4-16-11-18/h4-5,11-14H,6-10H2,1-3H3,(H,17,20)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 95904933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).