N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide

C22H30N4O3 — CID 47065984

IUPACN-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H30N4O3/c1-4-16(2)25-21(27)11-13-24-22(28)26-17(3)18-8-7-10-20(14-18)29-15-19-9-5-6-12-23-19/h5-10,12,14,16-17H,4,11,13,15H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKVBSMCNDCQLNDL-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.33
Rot. Bonds10

About N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide

N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide (PubChem CID 47065984) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
PubChem CID47065984
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H30N4O3/c1-4-16(2)25-21(27)11-13-24-22(28)26-17(3)18-8-7-10-20(14-18)29-15-19-9-5-6-12-23-19/h5-10,12,14,16-17H,4,11,13,15H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKVBSMCNDCQLNDL-UHFFFAOYSA-N
XLogP3.33
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide (CID 47065984) is N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide is CCC(C)NC(=O)CCNC(=O)NC(C)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide?
The InChIKey is KVBSMCNDCQLNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-16(2)25-21(27)11-13-24-22(28)26-17(3)18-8-7-10-20(14-18)29-15-19-9-5-6-12-23-19/h5-10,12,14,16-17H,4,11,13,15H2,1-3H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide?
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide has a molecular weight of 398.51 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide is sourced from PubChem (CID 47065984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).