N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide

C35H52N4O5 — CID 134394691

IUPACN-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CC5CC5)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C35H52N4O5/c1-4-28-10-15-36-32(23-28)38-18-21-44-35(27-38)13-16-37(17-14-35)24-31-7-5-6-29(22-31)11-19-43-20-12-33(40)39(25-30-8-9-30)26-34(41-2)42-3/h5-7,10,15,22-23,30,34H,4,8-9,11-14,16-21,24-27H2,1-3H3
InChIKeyJAMDSSFTGBASOJ-UHFFFAOYSA-N
MW608.82 g/mol
LogP4.32
Rot. Bonds16

About N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide

N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (PubChem CID 134394691) has the molecular formula C35H52N4O5 and a molecular weight of 608.82 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
PubChem CID134394691
Molecular FormulaC35H52N4O5
Molecular Weight608.82 g/mol
Exact Mass608.39
IUPAC NameN-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CC5CC5)CC(OC)OC)c4)CC3)C2)c1
InChIInChI=1S/C35H52N4O5/c1-4-28-10-15-36-32(23-28)38-18-21-44-35(27-38)13-16-37(17-14-35)24-31-7-5-6-29(22-31)11-19-43-20-12-33(40)39(25-30-8-9-30)26-34(41-2)42-3/h5-7,10,15,22-23,30,34H,4,8-9,11-14,16-21,24-27H2,1-3H3
InChIKeyJAMDSSFTGBASOJ-UHFFFAOYSA-N
XLogP4.32
TPSA76.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.82
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide (CID 134394691) is N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCOCCC(=O)N(CC5CC5)CC(OC)OC)c4)CC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?
The InChIKey is JAMDSSFTGBASOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N4O5/c1-4-28-10-15-36-32(23-28)38-18-21-44-35(27-38)13-16-37(17-14-35)24-31-7-5-6-29(22-31)11-19-43-20-12-33(40)39(25-30-8-9-30)26-34(41-2)42-3/h5-7,10,15,22-23,30,34H,4,8-9,11-14,16-21,24-27H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide?
N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide has a molecular weight of 608.82 g/mol, XLogP of 4.32, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(2,2-dimethoxyethyl)-3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]propanamide is sourced from PubChem (CID 134394691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).