1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea

C22H30N4O2 — CID 97434773

IUPAC1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H30N4O2/c1-3-18(2)26(17-20-8-10-23-11-9-20)22(27)24-21-6-4-19(5-7-21)16-25-12-14-28-15-13-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyPFNVZQDEXLAQLP-GOSISDBHSA-N
MW382.51 g/mol
LogP3.75
Rot. Bonds7

About 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea

1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 97434773) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea
PubChem CID97434773
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H30N4O2/c1-3-18(2)26(17-20-8-10-23-11-9-20)22(27)24-21-6-4-19(5-7-21)16-25-12-14-28-15-13-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyPFNVZQDEXLAQLP-GOSISDBHSA-N
XLogP3.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea (CID 97434773) is 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea is CC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is PFNVZQDEXLAQLP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-18(2)26(17-20-8-10-23-11-9-20)22(27)24-21-6-4-19(5-7-21)16-25-12-14-28-15-13-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea?
1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 382.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 97434773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).